chempirical

Allyltrimethylammonium chloride

C6H14ClNCAS 1516-27-4135.63 g/mol

Open in Covalent MOL file
N+Cl−
AlkeneQuaternary ammonium

Properties

Molecular formula
C6H14ClN
Molar mass
135.63 g/mol
Exact mass
135.0815 Da
Melting point
185–186 °C
logP
-2.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
1516-27-4
SMILES
C=CC[N+](C)(C)C.[Cl-]
InChIKey
TZYULTYGSBAILI-UHFFFAOYSA-M
InChI
InChI=1S/C6H14N.ClH/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

4 names
  • 2-Propen-1-aminium, N,N,N-trimethyl-, chloride (1:1)
  • Ammonium, allyltrimethyl-, chloride
  • 2-Propen-1-aminium, N,N,N-trimethyl-, chloride
  • Trimethylallylammonium chloride

Work with Allyltrimethylammonium 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

Polydadmac26062-79-364 % similar Diallyldimethylammonium chloride7398-69-864 % similar Choline chloride67-48-135 % similar Chlormequat chloride999-81-535 % similar Acryloyloxyethyltrimethylammonium chloride44992-01-034 % similar Caprylyltrimethylammonium chloride10108-86-831 % similar Decyltrimethylammonium chloride10108-87-931 % similar Dodecyltrimethylammonium chloride112-00-531 % similar

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

Same formula

Diethylaminoethyl chloride100-35-6 Cyclohexylammonium chloride4998-76-9 2,2-Dimethylpyrrolidine hydrochloride623580-01-8

Elsewhere

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