chempirical

Benzylammonium chloride

C7H10ClNCAS 3287-99-8143.61 g/mol

Open in Covalent MOL file
HClH2N
Primary amine

Properties

Molecular formula
C7H10ClN
Molar mass
143.61 g/mol
Exact mass
143.0502 Da
Melting point
262–263 °C
logP
1.57Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3287-99-8
SMILES
Cl.NCc1ccccc1
InChIKey
XKXHCNPAFAXVRZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H

Weigh it out

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

Names and synonyms

4 names
  • Benzenemethanamine, hydrochloride (1:1)
  • Benzylamine, hydrochloride
  • Benzenemethanamine, hydrochloride
  • Phenylmethanamine hydrochloride

Work with Benzylammonium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzylamine100-46-9Free base

Similar compounds

2-Phenylethylamine hydrochloride156-28-561 % similar 4-Phenylbenzylamine712-76-561 % similar P-Xylylenediamine539-48-058 % similar 4-Bromobenzylamine hydrochloride26177-44-656 % similar (4-Iodophenyl)methanamine hydrochloride59528-27-756 % similar 4-(Aminomethyl)benzonitrile hydrochloride15996-76-656 % similar M-Xylylenediamine1477-55-055 % similar 4-Phenoxybenzenemethanamine107622-80-054 % similar

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

Same formula

Ethylpyridinium chloride2294-38-4 4-Methylaniline hydrochloride540-23-8 o-Toluidinium chloride636-21-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook