chempirical

2-Bromoallylamine

C3H6BrNCAS 6943-51-7135.99 g/mol

Open in Covalent MOL file
NH2Br
AlkenePrimary amineVinyl halide

Properties

Molecular formula
C3H6BrN
Molar mass
135.99 g/mol
Exact mass
134.9684 Da
logP
0.85Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
6943-51-7
SMILES
C=C(CN)Br
InChIKey
XFSISDMYBCYBKG-UHFFFAOYSA-N
InChI
InChI=1S/C3H6BrN/c1-3(4)2-5/h1-2,5H2

Weigh it out

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

Names and synonyms

4 names
  • 2-Bromoprop-2-en-1-amine
  • 2-Bromo-2-propen-1-amine
  • 2-Propen-1-amine, 2-bromo-
  • 2-Bromo-allylamine

Work with 2-Bromoallylamine

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

2-Bromo-1-butene23074-36-443 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook