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Reference substances

Reference substances

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General information

Inventory

EC number:
213-502-1
EC name:
Benzyldimethyloctylammonium chloride
CAS number:
959-55-7

No inventory information available

Reference substance information

IUPAC name:
N-benzyl-N,N-dimethyloctan-1-aminium chloride
Synonyms
Names:
Benzenemethanaminium, N,N-dimethyl-N-octyl-, chloride
Identifier:
other: Molecular formula
C17H30N.Cl
Identifier:
other: InChl
InChI=1/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1
Identifier:
other: SMILES notation
[Cl-].CCCCCCCC[N+](C)(C)Cc1ccccc1

CAS information

CAS number:
959-55-7

Molecular and structural information

Molecular formula:
C17-H30-N.Cl
Molecular weight:
ca. 283.5
SMILES notation:
c1(C[N+](CCCCCCCC)(C)C)ccccc1.[ClH-]
InChl:
InChI=1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1
Structural formula:
Chemical structure