3-Bromobenzylamine hydrochloride

C7H9BrClNCAS 39959-54-1222.51 g/mol

Open in Covalent MOL file
BrNH2HCl
Aryl halidePrimary amine

Properties

Molecular formula
C7H9BrClN
Molar mass
222.51 g/mol
Exact mass
220.9607 Da
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 48 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
39959-54-1
SMILES
C1=CC(=CC(=C1)Br)CN.Cl
InChIKey
UGEQUCUBWNAUJS-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H

Weigh it out

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

Work with 3-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.

3-Bromobenzylamine10269-01-9Free base

Similar compounds

3-Bromophenethylamine58971-11-258 % similar M-Xylylenediamine1477-55-058 % similar m-Iodobenzylamine hydrochloride3718-88-556 % similar Benzylammonium chloride3287-99-854 % similar 3-Bromobenzyl bromide823-78-953 % similar 3-Bromobenzenemethanol15852-73-052 % similar 1-Bromo-3-ethylbenzene2725-82-852 % similar 1-Bromo-3-(chloromethyl)benzene932-77-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromobenzylamine hydrochloride26177-44-6 2-Bromobenzylamine hydrochloride5465-63-4

Elsewhere

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