chempirical

3-Amino-1-chloropropane hydrochloride

C3H9Cl2NCAS 6276-54-6130.01 g/mol

Open in Covalent MOL file
HClH2NCl
Alkyl halidePrimary amine

Properties

Molecular formula
C3H9Cl2N
Molar mass
130.01 g/mol
Exact mass
129.0112 Da
Melting point
146–148 °C
logP
1.00Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
6276-54-6
SMILES
Cl.NCCCCl
InChIKey
IHPRVZKJZGXTBQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H8ClN.ClH/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

7 names
  • 1-Propanamine, 3-chloro-, hydrochloride
  • Propylamine, 3-chloro-, hydrochloride
  • 1-Amino-3-chloropropane hydrochloride
  • 3-Aminopropyl chloride hydrochloride
  • 3-Chloro-1-propanamine hydrochloride
  • 1-Chloro-3-aminopropane hydrochloride
  • 3-Chloropropylamine hydrochloride

Work with 3-Amino-1-chloropropane 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

2-Chloroethylamine hydrochloride870-24-667 % similar 1,3-Diaminopropane dihydrochloride10517-44-959 % similar 1,5-Diaminopentane dihydrochloride1476-39-756 % similar Hexanediamine dihydrochloride6055-52-356 % similar Ethylenediamine hydrochloride18299-54-247 % similar Ethylenediamine hydrochloride333-18-647 % similar n-Butylammonium chloride3858-78-445 % similar 2,5-Dichloropentylamine hydrochloride62922-45-644 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook