CAS 124-03-8|ethyl(hexadecyl)dimethylazanium bromide|Hexadecyldimethylethylammonium bromide|ethyl(hexadecyl)dimethylazanium bromide|CETYLDIMETHYL ETHYLAMMONIUM BROMIDE|CETYLDIMETHYLETHYLAMMONIUM BRO...

General Information

Structure

Molecular Formula

C₂₀H₄₄BrN

Molecular Mass

378.47406

Exact Mass

377.26571241

Charge

InChI

InChI=1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1

InChIKey

VUFOSBDICLTFMS-UHFFFAOYSA-M

Canonic Smiles

CCCCCCCCCCCCCCCC[N+](CC)(C)C.[Br-]

Isomeric Smiles

CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0433638

LogD (pH = 7.4)

3.0433638

Log P

3.0433638

Molar Refractivity

109.7359

Polarizability

39.122406

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

ethyl(hexadecyl)dimethylazanium bromide

Synonyms

Hexadecyldimethylethylammonium bromideCETYLDIMETHYL ETHYLAMMONIUM BROMIDECETYLDIMETHYLETHYLAMMONIUM BROMIDECetyldimethylethylammonium bromideDimethylethylhexadecylammonium bromideEthylhexadecyldimethylammonium bromideN-Ethyl-N,N-dimethylhexadecan-1-aminium bromideCetyl ethyl dimethylammonium bromide十六烷基二甲基乙基溴化铵Ethyl(1-hexadecyl)dimethylammonium bromide

IUPAC Traditional name

ethyl(hexadecyl)dimethylazanium bromide

Names and Identifiers

Registration numbers

CAS Number

124-03-8

EC Number

204-672-8

PubChem SID

2489277624892263162092121

Beilstein Number

3729134