Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
241-727-5
EC name:
(Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with 2,2',2''-nitrilotri(ethanol) (1:1)
CAS number:
17736-08-2

No inventory information available

Reference substance information

IUPAC name:
2-[(9Z)-N-methyloctadec-9-enamido]acetic acid; 2-[bis(2-hydroxyethyl)amino]ethan-1-ol
Synonyms
Names:
(z)-n-methyl-n-(1-oxo-9-octadecenyl)glycine,_compound_with_2,2',2''-nitrilotri(ethanol)_(1:1)
Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
Identifier:
IUPAC name
N-methyl-N-[(9Z)-octadec-9-enoyl]glycine—2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Identifier:
other: InChl
InChI=1S/C21H39NO3.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;8-4-1-7(2-5-9)3-6-10/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);8-10H,1-6H2/b11-10-;
Identifier:
other: SMILES notation
OCCN(CCO)CCO.CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O
N-methyl-N-oleoylglycine - 2,2',2''-nitrilotriethanol (1:1)

CAS information

CAS number:
17736-08-2

Molecular and structural information

Molecular formula:
C21H39NO3.C6H15NO3
Molecular weight:
502.728
SMILES notation:
CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.OCCN(CCO)CCO
InChl:
InChI=1/C21H39NO3.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;8-4-1-7(2-5-9)3-6-10/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);8-10H,1-6H2
Structural formula:
Chemical structure