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Reference substances

Reference substances

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General information

Inventory

EC number:
246-584-2
EC name:
(Z)-(carboxymethyl)dimethyl-3-[(1-oxo-9-octadecenyl)amino]propylammonium hydroxide
CAS number:
25054-76-6

No inventory information available

Reference substance information

IUPAC name:
N-(carboxymethyl)-N,N-dimethyl-3-(oleoylamino)propan-1-aminium hydroxide
Synonyms
Names:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl- 3-[(1-oxo-9-octadecenyl)amino]-, hydroxide, inner salt, (Z)-
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[[(9Z)-1-oxo-9-octadecenyl]amino]-, inner salt

CAS information

CAS number:
25054-76-6

Molecular and structural information

Molecular formula:
C25H48N2O3
Molecular weight:
442.675
SMILES notation:
[OH-].CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
InChl:
InChI=1/C25H48N2O3.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(28)26-21-19-22-27(2,3)23-25(29)30;/h11-12H,4-10,13-23H2,1-3H3,(H-,26,28,29,30);1H2
Structural formula:
Chemical structure