Benzethonium Chloride

Analyte Name

Benzethonium Chloride

CAS Number

121-54-0

Molecular Formula

C27 H42 N O2 . Cl

Molecular Weight

448.08

Accurate Mass

447.2904

SMILES

[Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1

InChI

InChI=1S/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

IUPAC

benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride

Alternate CAS Number

Free acid: 10172-60-8

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Transport Restrictions

Air Excepted Air Dangerous

Product Format

Neat

API Family

Benzethonium Chloride

Purity

>95% (HPLC)