chempirical

Ambroxol

C13H18Br2N2OCAS 18683-91-5378.11 g/mol

Open in Covalent MOL file
NH2BrBrNHHO
AlcoholAryl halidePrimary amineSecondary amine

Properties

Molecular formula
C13H18Br2N2O
Molar mass
378.11 g/mol
Exact mass
375.9786 Da
logP
3.19Crippen estimate
Polar surface area
58.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
r, rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
18683-91-5
SMILES
Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1
InChIKey
JBDGDEWWOUBZPM-XYPYZODXNA-N
InChI
InChI=1/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-

Weigh it out

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

Names and synonyms

9 names
  • Cyclohexanol, 4-[[(2-amino-3,5-dibromophenyl)methyl]amino]-, trans-
  • Cyclohexanol, 4-[(2-amino-3,5-dibromobenzyl)amino]-, trans-
  • trans-4-[[(2-Amino-3,5-dibromophenyl)methyl]amino]cyclohexanol
  • N-(trans-4-Hydroxycyclohexyl)-N-(2-amino-3,5-dibromobenzyl)amine
  • NA 872
  • N-(trans-4-Hydroxycyclohexyl)-2-amino-3,5-dibromobenzylamine
  • 2-Amino-3,5-dibromo-N-(trans-4-hydroxycyclohexyl)benzylamine
  • Lasolvan
  • Ambroxils

Work with Ambroxol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ambroxol hydrochloride23828-92-4Salt

Similar compounds

2-Amino-3,5-dibromobenzenemethanol50739-76-950 % similar 2,4,6-Tribromoaniline147-82-042 % similar Bromhexine hydrochloride611-75-640 % similar 2,4-Dibromo-6-fluoroaniline141474-37-536 % similar 2,4-Dibromo-6-chloroaniline874-18-036 % similar 2-Amino-3,5-dibromobenzoic acid609-85-835 % similar 4-Bromo-2,6-diethylaniline56746-19-134 % similar 2-Amino-3,5-dibromobenzaldehyde50910-55-934 % similar

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

Elsewhere

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