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Reference substances

Reference substances

IUPAC name:
benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride

Inventory

EC number:
204-479-9
EC name:
Benzethonium chloride
CAS number:
121-54-0
CAS number:
121-54-0
Synonyms
Names:
Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-( 1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride
Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride
N-benzyl-N,N-dimethyl-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanaminium chloride

Molecular and structural information

Molecular formula:
C27H42NO2.Cl
Molecular weight:
448.081
SMILES notation:
[Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
InChl:
InChI=1/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
Structural formula:
Chemical structure

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