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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

Reference substances

Reference substances

Currently viewing:
IUPAC name:
nicotine dihydrogen ditartrate

Inventory

EC number:
200-607-2
EC name:
Nicotine dihydrogen ditartrate
CAS number:
65-31-6
CAS number:
65-31-6
Synonyms
Names:
Nicotine,_tartrate_(1:2)
Identifier:
CAS number
6019-06-3
Identifier:
IUPAC name
(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine (+)-ditartrate salt
Identifier:
IUPAC name
2,3-dihydroxybutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine
Identifier:
IUPAC name
3-(1-methylpyrrolidin-2-yl)pyridine 2,3-dihydroxysuccinate (salt)
Identifier:
IUPAC name
3-(1-methylpyrrolidin-2-yl)pyridine 2,3-dihydroxysuccinate dihydrate (salt)
Identifier:
common name
Nicotine Dihydrogen Ditartrate
Identifier:
other: Molecular formula
C10H14N2.2C4H6O6
Identifier:
other: Molecular formula
C18H26N2O12
Identifier:
other: Molecular formula
C18H26N2O12, 2H2O
Identifier:
other: SMILES notation
CN1CCCC1c2cccnc2.OC(C(O)C(=O)O)C(=O)O
Identifier:
other: SMILES notation
CN1CCCC1c2cccnc2.OC(C(O)C(=O)O)C(=O)O.OC(C(O)C(=O)O)C(=O)O
Identifier:
other: InChl
InChI=1/C10H14N2.C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
Identifier:
other: InChl
InChI=1/C17H15ClN2O3/c1-9(2)16(22)19-11-4-5-14(21)12(8-11)17-20-13-7-10(18)3-6-15(13)23-17/h3-9,20H,1-2H3,(H,19,22)/b17-12-
Identifier:
other: InChl
InChI=1S/C10H14N2.2C4H6O6.2H2O/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*5-1(3(7)8)2(6)4(9)10;;/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10);2*1H2/t10-;2*1-,2-;;/m011../s1
Identifier:
other: InChl
InChI=1S/C10H14N2.2C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10)
Identifier:
other: SMILES notation
N1CCCC1C2=CN=CC=C2.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O.O.O

Molecular and structural information

Molecular formula:
C10-H14-N2.2C4-H6-O6
Molecular weight:
462.4
SMILES notation:
CN1CCC[C@H]1c2cccnc2.O[C@H]([C@@H](O)C(=O)O)C(=O)O.O[C@H]([C@@H](O)C(=O)O)C(=O)O
InChl:
1S/C10H14N2.2C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t10-;2*1-,2-/m011/s1
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
65-31-6