4-Bromobenzylamine hydrochloride

C7H9BrClNCAS 26177-44-6222.51 g/mol

Open in Covalent MOL file
HClH2NBr
Aryl halidePrimary amine

Properties

Molecular formula
C7H9BrClN
Molar mass
222.51 g/mol
Exact mass
220.9607 Da
Melting point
267–270 °C
logP
2.33Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
26177-44-6
SMILES
Cl.NCc1ccc(Br)cc1
InChIKey
BVYUYDBWQMSOKM-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanamine, 4-bromo-, hydrochloride (1:1)
  • Benzylamine, p-bromo-, hydrochloride
  • Benzenemethanamine, 4-bromo-, hydrochloride
  • 4-Bromobenzylammonium chloride
  • p-Bromobenzylamine hydrochloride
  • 4-Bromobenzylamine monohydrochloride
  • (4-Bromophenyl)methanamine hydrochloride
  • (4-Bromophenyl)methanaminium chloride

Work with 4-Bromobenzylamine 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

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.

4-Bromobenzenemethanamine3959-07-7Free base

Similar compounds

P-Xylylenediamine539-48-057 % similar Benzylammonium chloride3287-99-856 % similar (4-Iodophenyl)methanamine hydrochloride59528-27-756 % similar 4-Bromophenethylamine73918-56-654 % similar 4-(Aminomethyl)benzonitrile hydrochloride15996-76-650 % similar 4-(Aminomethyl)-N,N-dimethylaniline dihydrochloride34403-52-650 % similar 4-Hydroxybenzylamine696-60-650 % similar 4-Aminomethylphenylboronic acid hydrochloride75705-21-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromobenzylamine hydrochloride39959-54-1 2-Bromobenzylamine hydrochloride5465-63-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook