chempirical

Diallylammonium chloride

C6H12ClNCAS 6147-66-6133.62 g/mol

Open in Covalent MOL file
NHHCl
AlkeneSecondary amine

Properties

Molecular formula
C6H12ClN
Molar mass
133.62 g/mol
Exact mass
133.0658 Da
Melting point
164–165 °C
logP
1.37Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
6147-66-6
SMILES
C=CCNCC=C.Cl
InChIKey
PZNOBXVHZYGUEX-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N.ClH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H

Weigh it out

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

Names and synonyms

3 names
  • 2-Propen-1-amine, N-2-propen-1-yl-, hydrochloride (1:1)
  • Diallylamine, hydrochloride
  • 2-Propen-1-amine, N-2-propenyl-, hydrochloride

Work with Diallylammonium chloride

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-Propenylamine hydrochloride10017-11-543 % similar Methylallylamine627-37-243 % similar Poly(allylamine hydrochloride)71550-12-443 % similar Allylaminotrimethylsilane10519-97-838 % similar O-Allylhydroxylamine hydrochloride38945-21-038 % similar Allylurea557-11-936 % similar N-2-Propen-1-ylcyclohexanamine6628-00-835 % similar 1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4)10045-25-733 % similar

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

Same formula

1-Chloro-N,N-2-trimethylpropenylamine26189-59-3 4-Chloro-1-methylpiperidine5570-77-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook