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Reference substances

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IUPAC name:
{dimethyl[3-(palmitoylamino)propyl]ammonio}acetate

Inventory

EC number:
251-306-8
EC name:
Pendecamaine
CAS number:
32954-43-1
CAS number:
32954-43-1
Synonyms
Names:
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, hydroxide, inner salt
1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, inner salt
Identifier:
CAS number
32954-43-1
Identifier:
EC name
(carboxymethyl)dimethyl-3-[(1-oxooctadecyl)amino]propylammonium hydroxide
Identifier:
EC number
251-306-8
Identifier:
IUPAC name
N-(carboxymethyl)-N,N-dimethyl-3-(stearoylamino)propan-1-aminium hydroxide
Identifier:
INCI name
Palmitamidopropyl Betaine
Identifier:
other: InChl
InChI=1S/C23H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(26)24-19-17-20-25(2,3)21-23(27)28/h4-21H2,1-3H3,(H-,24,26,27,28)
Identifier:
other: SMILES notation
O=C(NCCC[N+](C)(C)CC([O-])=O)CCCCCCCCCCCCCCC

Molecular and structural information

Molecular formula:
C23H46N2O3
Molecular weight:
398.623
SMILES notation:
CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]
InChl:
InChI=1/C23H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(26)24-19-17-20-25(2,3)21-23(27)28/h4-21H2,1-3H3,(H-,24,26,27,28)
Structural formula:
Chemical structure

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