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Reference substances

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General information

Inventory

EC number:
304-990-8
EC name:
Trimethyl-3-[(1-oxo-10-undecenyl)amino]propylammonium methyl sulphate
CAS number:
94313-91-4

No inventory information available

Reference substance information

IUPAC name:
trimethyl[3-(undec-10-enamido)propyl]azanium methyl sulfate
Synonyms
Names:
Identifier:
CAS number
94313-91-4
Identifier:
IUPAC name
N,N,N-trimethyl-3-(undec-10-enoylamino)propan-1-aminium methyl sulfate
Identifier:
other: SMILES notation
COS(=O)(=O)[O-].C[N+](C)(C)CCCNC(=O)CCCCCCCCC=C
Identifier:
other: InChl
InChI=1/C17H34N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)4;1-5-6(2,3)4/h5H,1,6-16H2,2-4H3;1H3,(H,2,3,4)
trimethyl-3-[(1-oxo-10-undecenyl)amino]propylammonium methyl sulphate

CAS information

CAS number:
94313-91-4

Molecular and structural information

Molecular formula:
C17H35N2O.CH3O4S
Molecular weight:
394.57
SMILES notation:
C=CCCCCCCCCC(NCCC[N+](C)(C)C)=O.CS(=O)(O[O-])=O
InChl:
InChI=1S/C17H34N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)4;1-6(3,4)5-2/h5H,1,6-16H2,2-4H3;2H,1H3
Structural formula:
Chemical structure