Domiphen bromide

C₂₂H₄₀BrNOCAS 538-71-6414.47 g/mol

Open in Covalent MOL file

Ether Quaternary ammonium

Properties

Molecular formula: C₂₂H₄₀BrNO
Molar mass: 414.47 g/mol
Exact mass: 413.2293 Da
Melting point: 112–113 °C
logP: 3.07Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 15

Identifiers

CAS number

538-71-6

SMILES

CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1.[Br-]

InChIKey

OJIYIVCMRYCWSE-UHFFFAOYSA-M

InChI

InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all

Fungitex
Fungitex R
Modicare
NSC 39415
neo-Bradoral
1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide (1:1)
Ammonium, dodecyldimethyl(2-phenoxyethyl)-, bromide
1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide
Dodecyldimethyl(2-phenoxyethyl)ammonium bromide
Bradosol
Bradosol bromide
PDDB
Phenododecinium bromide
(β-Phenoxyethyl)dimethyldodecylammonium bromide
N-Dodecyl-N-(2-phenoxyethyl)dimethylammonium bromide
Bradonit
Bradoral
Oradol

Work with Domiphen bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzododecinium bromide7281-04-161 % similar Didecyl dimethyl ammonium bromide2390-68-357 % similar Didodecyldimethylammonium bromide3282-73-357 % similar Dimethyldioctadecylammonium bromide3700-67-257 % similar Dihexadecyldimethylammonium bromide70755-47-457 % similar Butyl phenyl ether1126-79-054 % similar Cetalkonium chloride122-18-950 % similar Stearalkonium chloride122-19-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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