chempirical

2-Bromobenzylamine

C7H8BrNCAS 3959-05-5186.05 g/mol

Open in Covalent MOL file
H2NBr
Aryl halidePrimary amine

Properties

Molecular formula
C7H8BrN
Molar mass
186.05 g/mol
Exact mass
184.9840 Da
logP
1.91Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
3959-05-5
SMILES
C1=CC=C(C(=C1)CN)Br
InChIKey
NOYASZMZIBFFNZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2

Weigh it out

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

Work with 2-Bromobenzylamine

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.

2-Bromobenzylamine hydrochloride5465-63-4Salt

Similar compounds

2-Bromophenethylamine65185-58-260 % similar 2-Bromobenzyl bromide3433-80-554 % similar 2-Bromobenzyl mercaptan143888-85-152 % similar 2-Bromobenzyl alcohol18982-54-252 % similar 1-Bromo-2-ethylbenzene1973-22-452 % similar 2-(Aminomethyl)aniline4403-69-452 % similar 2-Bromobenzyl chloride578-51-852 % similar 2-Bromo-5-fluorobenzenemethanamine747392-34-352 % similar

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

Same formula

3-Bromobenzylamine10269-01-9 4-Bromo-2,3-dimethylpyridine259807-91-5 5-Bromo-2,3-dimethylpyridine27063-90-7 3-Bromo-2,4-dimethylpyridine27063-93-0 3-Bromo-2,6-dimethylpyridine3430-31-7 5-Bromo-2-methylbenzenamine39478-78-9 4-Bromobenzenemethanamine3959-07-7 2-Bromo-4,6-dimethylpyridine4926-26-5

Elsewhere

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