chempirical

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

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

Similar compounds

4-Bromobenzenemethanamine3959-07-786 % similar P-Xylylenediamine539-48-057 % similar Benzylammonium chloride3287-99-856 % similar 4-Bromophenethylamine73918-56-654 % similar 4-Hydroxybenzylamine696-60-650 % similar 4-Bromo-2-fluorobenzylamine hydrochloride147181-08-648 % similar (5-Bromo-2-fluorobenzyl)amine hydrochloride202865-69-848 % similar 3-Bromobenzylamine10269-01-948 % similar

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

Same formula

2-Bromobenzylamine hydrochloride5465-63-4

Elsewhere

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