chempirical

Bromhexine hydrochloride

C14H21Br2ClN2CAS 611-75-6412.59 g/mol

Open in Covalent MOL file
NBrBrH2NHCl
Aryl halidePrimary amineTertiary amine

Properties

Molecular formula
C14H21Br2ClN2
Molar mass
412.59 g/mol
Exact mass
409.9760 Da
Melting point
237.5–289 °C (decomposes)
logP
4.98Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 67 ECHA notifiers. Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
611-75-6
SMILES
CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl
InChIKey
UCDKONUHZNTQPY-UHFFFAOYSA-N
InChI
InChI=1S/C14H20Br2N2.ClH/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17;/h7-8,12H,2-6,9,17H2,1H3;1H

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzenemethanamine, 2-amino-3,5-dibromo-N-cyclohexyl-N-methyl-, hydrochloride (1:1)
  • Toluene-α,2-diamine, 3,5-dibromo-Nα-cyclohexyl-Nα-methyl-, monohydrochloride
  • Benzenemethanamine, 2-amino-3,5-dibromo-N-cyclohexyl-N-methyl-, monohydrochloride
  • Bisolvon
  • Bisolvon hydrochloride
  • Cyclohexylmethyl(2-amino-3,5-dibromobenzyl)ammonium chloride
  • N-Cyclohexyl-N-methyl-(2-amino-3,5-dibromobenzyl)ammonium chloride
  • Nα-Cyclohexyl-Nα-methyl-3,5-dibromotoluene-α,2-diamine hydrochloride
  • N-Cyclohexyl-N-methyl-N-(2-amino-3,5-dibromobenzyl)ammonium chloride
  • 2-Amino-3,5-dibromo-N-cyclohexyl-N-methylbenzylamine monohydrochloride
  • Bromhexine chloride
  • Bromhexine monohydrochloride
  • Quentan
  • Auxit
  • Ophtosol
  • 2,4-Dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline hydrochloride
  • 2,4-Dibromo-6-[(cyclohexyl-methyl-amino)-methyl]-phenylamine; hydrochloride

Work with Bromhexine hydrochloride

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

Ambroxol hydrochloride23828-92-445 % similar 2-Amino-3,5-dibromobenzenemethanol50739-76-943 % similar Ambroxol18683-91-540 % similar 2,4,6-Tribromoaniline147-82-039 % similar 4-Bromo-2,6-diethylaniline56746-19-135 % similar 2,4-Dibromo-6-fluoroaniline141474-37-534 % similar 2,4-Dibromo-6-chloroaniline874-18-034 % similar 2-Amino-3,5-dibromobenzaldehyde50910-55-932 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook