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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Identification

Display Name:
(Z)-N-(3-ammoniopropyl)-N'-[3-octadecenylamino)propyl]propane-1,3-diaminium acetate
EC Number:
700-802-7
Molecular formula:
No molecular formula
IUPAC Name:
(Z)-N-(3-ammoniopropyl)-N'-[3-octadecenylamino)propyl]propane-1,3-diaminium acetate

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers

Compositions

Boundary Composition(s)

Legal Entity Composition(s) open all close all

State Form:
solid: bulk


Constituent 1
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-{3-[(9Z)-octadec-9-en-1-ylammonio]propyl}propane-1,3-diaminium tetraacetate
Molecular formula:
C35H74N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-{3-[(9Z)-octadec-9-en-1-ylammonio]propyl}propane-1,3-diaminium tetraacetate
Constituent 2
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Molecular formula:
C30H65N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Constituent 3
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[(9Z)-octadec-9-en-1-yl]propane-1,3-diaminium triacetate
Molecular formula:
C30H63N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-[(9Z)-octadec-9-en-1-yl]propane-1,3-diaminium triacetate
Constituent 4
Chemical structure
Reference substance name:
N-octadecylpropane-1,3-diaminium diacetate
Molecular formula:
C25H54N2O4
IUPAC Name:
N-octadecylpropane-1,3-diaminium diacetate
Constituent 5
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-({3-[(9Z)-octadec-9-en-1-ylammonio]propyl}ammonio)propyl]propane-1,3-diaminium pentaacetate
Molecular formula:
C40H85N5O10
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-({3-[(9Z)-octadec-9-en-1-ylammonio]propyl}ammonio)propyl]propane-1,3-diaminium pentaacetate
Constituent 6
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C33H72N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 7
Chemical structure
Reference substance name:
N-[(9Z)-octadec-9-en-1-yl]propane-1,3-diaminium diacetate
Molecular formula:
C25H52N2O4
IUPAC Name:
N-[(9Z)-octadec-9-en-1-yl]propane-1,3-diaminium diacetate
Constituent 8
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Molecular formula:
C28H61N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Constituent 9
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
Constituent 10
Chemical structure
Reference substance name:
Octadecylammonium acetate
EC Number:
218-583-7
EC Name:
Octadecylammonium acetate
CAS Number:
2190-04-7
Molecular formula:
C20H43NO2
IUPAC Name:
octadecan-1-aminium acetate
Constituent 11
Chemical structure
Reference substance name:
(Z)-octadec-9-enylammonium acetate
EC Number:
233-945-4
EC Name:
(Z)-octadec-9-enylammonium acetate
Molecular formula:
C18H37N.C2H4O2
IUPAC Name:
(9Z)-octadec-9-en-1-aminium acetate
Constituent 12
Chemical structure
Reference substance name:
Hexadecylammonium acetate
EC Number:
217-954-0
EC Name:
Hexadecylammonium acetate
CAS Number:
2016-52-6
Molecular formula:
C18H39NO2
IUPAC Name:
hexadecan-1-aminium acetate
Constituent 13
Chemical structure
Reference substance name:
N-hexadecylpropane-1,3-diaminium diacetate
Molecular formula:
C23H50N2O4
IUPAC Name:
N-hexadecylpropane-1,3-diaminium diacetate
Constituent 14
Chemical structure
Reference substance name:
Propan-2-ol
EC Number:
200-661-7
EC Name:
Propan-2-ol
CAS Number:
67-63-0
Molecular formula:
C3H8O
IUPAC Name:
propan-2-ol
Constituent 15
Chemical structure
Reference substance name:
Acetic acid
EC Number:
200-580-7
EC Name:
Acetic acid
CAS Number:
64-19-7
Molecular formula:
C2H4O2
IUPAC Name:
acetic acid
Constituent 16
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Molecular formula:
C40H87N5O10
IUPAC Name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Constituent 17
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C35H76N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 18
Chemical structure
Reference substance name:
(9Z,12Z)-octadeca-9,12-dien-1-aminium acetate
Molecular formula:
C20H39NO2
IUPAC Name:
(9Z,12Z)-octadeca-9,12-dien-1-aminium acetate
Constituent 19
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[(9Z,12Z)-octadeca-9,12-dien-1-yl]propane-1,3-diaminium triacetate
Molecular formula:
C30H61N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-[(9Z,12Z)-octadeca-9,12-dien-1-yl]propane-1,3-diaminium triacetate
Constituent 20
Chemical structure
Reference substance name:
N-[(9Z,12Z)-octadeca-9,12-dien-1-yl]propane-1,3-diaminium diacetate
Molecular formula:
C25H50N2O4
IUPAC Name:
N-[(9Z,12Z)-octadeca-9,12-dien-1-yl]propane-1,3-diaminium diacetate
Constituent 21
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-({3-[(9Z,12Z)-octadeca-9,12-dien-1-ylammonio]propyl}ammonio)propyl]propane-1,3-diaminium pentaacetate
Molecular formula:
C40H83N5O10
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-({3-[(9Z,12Z)-octadeca-9,12-dien-1-ylammonio]propyl}ammonio)propyl]propane-1,3-diaminium pentaacetate
Constituent 22
Reference substance name:
unknown impurity 01
Molecular formula:
NYA
IUPAC Name:
unknown impurity 01
Constituent 23
Reference substance name:
unknown impurity 02
Molecular formula:
NYA
IUPAC Name:
unknown impurity 02
Constituent 24
Reference substance name:
unknown impurity 03
Molecular formula:
NYA
IUPAC Name:
unknown impurity 03
Constituent 25
Reference substance name:
unknown impurity 04
Molecular formula:
NA
IUPAC Name:
unknown impurity 04


Constituent 1
Chemical structure
Reference substance name:
C18:1 tripropylenetetraamine tetraacetate
Molecular formula:
C35H74N4O8
IUPAC Name:
C18:1 tripropylenetetraamine tetraacetate
Constituent 2
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Molecular formula:
C30H65N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Constituent 3
Chemical structure
Reference substance name:
C18:1 dipropylenetriamine triacetate
Molecular formula:
C30H63N3O6
IUPAC Name:
C18:1 dipropylenetriamine triacetate
Constituent 4
Chemical structure
Reference substance name:
N-octadecylpropane-1,3-diaminium diacetate
Molecular formula:
C25H54N2O4
IUPAC Name:
N-octadecylpropane-1,3-diaminium diacetate
Constituent 5
Chemical structure
Reference substance name:
C18:1 tetrapropylene pentaamine pentaacetate
Molecular formula:
C40H85N5O10
IUPAC Name:
C18:1 tetrapropylene pentaamine pentaacetate
Constituent 6
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C33H72N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 7
Chemical structure
Reference substance name:
C18:1 propylenediamine diacetate
Molecular formula:
C25H52N2O4
IUPAC Name:
C18:1 propylenediamine diacetate
Constituent 8
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Molecular formula:
C28H61N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Constituent 9
Chemical structure
Reference substance name:
Octadecylammonium acetate
EC Number:
218-583-7
EC Name:
Octadecylammonium acetate
CAS Number:
2190-04-7
Molecular formula:
C20H43NO2
IUPAC Name:
octadecan-1-aminium acetate
Constituent 10
Chemical structure
Reference substance name:
C18:1 amine acetate
Molecular formula:
C20H41NO2
IUPAC Name:
C18:1 amine acetate
Constituent 11
Chemical structure
Reference substance name:
Hexadecylammonium acetate
EC Number:
217-954-0
EC Name:
Hexadecylammonium acetate
CAS Number:
2016-52-6
Molecular formula:
C18H39NO2
IUPAC Name:
hexadecan-1-aminium acetate
Constituent 12
Chemical structure
Reference substance name:
N-hexadecylpropane-1,3-diaminium diacetate
Molecular formula:
C23H50N2O4
IUPAC Name:
N-hexadecylpropane-1,3-diaminium diacetate
Constituent 13
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Molecular formula:
C40H87N5O10
IUPAC Name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Constituent 14
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C35H76N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 15
Chemical structure
Reference substance name:
C18:2 amine acetate
Molecular formula:
C20H39NO2
IUPAC Name:
C18:2 amine acetate
Constituent 16
Chemical structure
Reference substance name:
C18:2 dipropylenetriamine triacetate
Molecular formula:
C30H61N3O6
IUPAC Name:
C18:2 dipropylenetriamine triacetate
Constituent 17
Chemical structure
Reference substance name:
C18:2 propylenediamine diacetate
Molecular formula:
C25H50N2O4
IUPAC Name:
C18:2 propylenediamine diacetate
Constituent 18
Chemical structure
Reference substance name:
C18:2 tetrapropylene pentaamine pentaacetate
Molecular formula:
C40H83N5O10
IUPAC Name:
C18:2 tetrapropylene pentaamine pentaacetate
Constituent 19
Reference substance name:
unknown impurity 01
Molecular formula:
NYA
IUPAC Name:
unknown impurity 01
Constituent 20
Reference substance name:
unknown impurity 02
Molecular formula:
NYA
IUPAC Name:
unknown impurity 02
Constituent 21
Reference substance name:
unknown impurity 03
Molecular formula:
NYA
IUPAC Name:
unknown impurity 03
Constituent 22
Reference substance name:
unknown impurity 04
Molecular formula:
NA
IUPAC Name:
unknown impurity 04
Constituent 23
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
Constituent 24
Chemical structure
Reference substance name:
Propan-2-ol
EC Number:
200-661-7
EC Name:
Propan-2-ol
CAS Number:
67-63-0
Molecular formula:
C3H8O
IUPAC Name:
propan-2-ol
Constituent 25
Chemical structure
Reference substance name:
Acetic acid
EC Number:
200-580-7
EC Name:
Acetic acid
CAS Number:
64-19-7
Molecular formula:
C2H4O2
IUPAC Name:
acetic acid


Constituent 1
Chemical structure
Reference substance name:
C18:1 tripropylenetetraamine tetraacetate
Molecular formula:
C35H74N4O8
IUPAC Name:
C18:1 tripropylenetetraamine tetraacetate
Constituent 2
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Molecular formula:
C30H65N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Constituent 3
Chemical structure
Reference substance name:
C18:1 dipropylenetriamine triacetate
Molecular formula:
C30H63N3O6
IUPAC Name:
C18:1 dipropylenetriamine triacetate
Constituent 4
Chemical structure
Reference substance name:
N-octadecylpropane-1,3-diaminium diacetate
Molecular formula:
C25H54N2O4
IUPAC Name:
N-octadecylpropane-1,3-diaminium diacetate
Constituent 5
Chemical structure
Reference substance name:
C18:1 tetrapropylene pentaamine pentaacetate
Molecular formula:
C40H85N5O10
IUPAC Name:
C18:1 tetrapropylene pentaamine pentaacetate
Constituent 6
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C33H72N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 7
Chemical structure
Reference substance name:
C18:1 propylenediamine diacetate
Molecular formula:
C25H52N2O4
IUPAC Name:
C18:1 propylenediamine diacetate
Constituent 8
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Molecular formula:
C28H61N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Constituent 9
Chemical structure
Reference substance name:
Octadecylammonium acetate
EC Number:
218-583-7
EC Name:
Octadecylammonium acetate
CAS Number:
2190-04-7
Molecular formula:
C20H43NO2
IUPAC Name:
octadecan-1-aminium acetate
Constituent 10
Chemical structure
Reference substance name:
C18:1 amine acetate
Molecular formula:
C20H41NO2
IUPAC Name:
C18:1 amine acetate
Constituent 11
Chemical structure
Reference substance name:
Hexadecylammonium acetate
EC Number:
217-954-0
EC Name:
Hexadecylammonium acetate
CAS Number:
2016-52-6
Molecular formula:
C18H39NO2
IUPAC Name:
hexadecan-1-aminium acetate
Constituent 12
Chemical structure
Reference substance name:
N-hexadecylpropane-1,3-diaminium diacetate
Molecular formula:
C23H50N2O4
IUPAC Name:
N-hexadecylpropane-1,3-diaminium diacetate
Constituent 13
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Molecular formula:
C40H87N5O10
IUPAC Name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Constituent 14
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C35H76N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 15
Chemical structure
Reference substance name:
C18:2 amine acetate
Molecular formula:
C20H39NO2
IUPAC Name:
C18:2 amine acetate
Constituent 16
Chemical structure
Reference substance name:
C18:2 dipropylenetriamine triacetate
Molecular formula:
C30H61N3O6
IUPAC Name:
C18:2 dipropylenetriamine triacetate
Constituent 17
Chemical structure
Reference substance name:
C18:2 propylenediamine diacetate
Molecular formula:
C25H50N2O4
IUPAC Name:
C18:2 propylenediamine diacetate
Constituent 18
Chemical structure
Reference substance name:
C18:2 tetrapropylene pentaamine pentaacetate
Molecular formula:
C40H83N5O10
IUPAC Name:
C18:2 tetrapropylene pentaamine pentaacetate
Constituent 19
Reference substance name:
unknown impurity 01
Molecular formula:
NYA
IUPAC Name:
unknown impurity 01
Constituent 20
Reference substance name:
unknown impurity 02
Molecular formula:
NYA
IUPAC Name:
unknown impurity 02
Constituent 21
Reference substance name:
unknown impurity 03
Molecular formula:
NYA
IUPAC Name:
unknown impurity 03
Constituent 22
Reference substance name:
unknown impurity 04
Molecular formula:
NA
IUPAC Name:
unknown impurity 04
Constituent 23
Reference substance name:
Unreacted C18, C16 (saturated and unsaturated) polypropylene amine derivatives
IUPAC Name:
Unreacted C18, C16 (saturated and unsaturated) polypropylene amine derivatives
Constituent 24
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
Constituent 25
Chemical structure
Reference substance name:
Propan-2-ol
EC Number:
200-661-7
EC Name:
Propan-2-ol
CAS Number:
67-63-0
Molecular formula:
C3H8O
IUPAC Name:
propan-2-ol

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