3-Bromopropylamine hydrobromide

C3H9Br2NCAS 5003-71-4218.92 g/mol

Open in Covalent MOL file
HBrH2NBr
Alkyl halidePrimary amine

Properties

Molecular formula
C3H9Br2N
Molar mass
218.92 g/mol
Exact mass
216.9102 Da
Melting point
162 °C
logP
1.31Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

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
5003-71-4
SMILES
Br.NCCCBr
InChIKey
PQIYSSSTRHVOBW-UHFFFAOYSA-N
InChI
InChI=1S/C3H8BrN.BrH/c4-2-1-3-5;/h1-3,5H2;1H

Weigh it out

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

Names and synonyms

11 names
  • 1-Propanamine, 3-bromo-, hydrobromide (1:1)
  • Propylamine, 3-bromo-, hydrobromide
  • 1-Propanamine, 3-bromo-, hydrobromide
  • 1-Amino-3-bromopropane hydrobromide
  • 3-Aminopropyl bromide hydrobromide
  • 3-Bromo-1-propanamine hydrobromide
  • 3-Bromopropanamine hydrobromide
  • 3-Bromopropylammonium bromide
  • 3-Bromopropylamine hydrobromide salt
  • 3-Bromo-1-aminopropane hydrobromide
  • 3-Bromo-1-propylamine hydrobromide

Work with 3-Bromopropylamine hydrobromide

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-Bromoethylamine hydrobromide2576-47-867 % similar 1,3-Dibromopropane109-64-841 % similar 1,3-Diaminopropane109-76-241 % similar 1,4-Dibromobutane110-52-141 % similar Putrescine110-60-141 % similar 1,5-Dibromopentane111-24-039 % similar Hexamethylenediamine124-09-439 % similar 1,11-Dibromoundecane16696-65-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook