β-Methylbenzeneethanamine hydrochloride

C9H14ClNCAS 20388-87-8171.67 g/mol

Open in Covalent MOL file
H2NHCl
Primary amine

Properties

Molecular formula
C9H14ClN
Molar mass
171.67 g/mol
Exact mass
171.0815 Da
Melting point
194 °C
logP
2.17Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
20388-87-8
SMILES
CC(CN)c1ccccc1.Cl
InChIKey
HBVYOCJBEXSCQE-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N.ClH/c1-8(7-10)9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H

Weigh it out

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

Names and synonyms

6 names
  • Benzeneethanamine, β-methyl-, hydrochloride (1:1)
  • Phenethylamine, β-methyl-, hydrochloride
  • Benzeneethanamine, β-methyl-, hydrochloride
  • 2-Phenyl-1-propanamine hydrochloride
  • 2-Phenylpropylamine hydrochloride
  • 2-Phenyl-1-propanamine monohydrochloride

Work with β-Methylbenzeneethanamine 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

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.

(±)-2-Phenylpropylamine582-22-9Free base (2S)-2-Phenylpropan-1-amine17596-79-1Free base, defined stereoisomer (R)-2-Phenyl-1-propylamine28163-64-6Free base, defined stereoisomer

Similar compounds

sec-Butylbenzene135-98-852 % similar 2-Phenyl-1-propanol1123-85-950 % similar 1-Bromo-2-phenylpropane1459-00-350 % similar 2-Phenylpropanol37778-99-750 % similar 2,2-Diphenylethylamine3963-62-050 % similar 2-Phenyl-1-propanol98103-87-850 % similar (2-Amino-1-phenylethyl)dimethylamine6342-21-845 % similar (-)-Phenylethanolamine2549-14-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Butylpyridinium chloride1124-64-7 Phenyltrimethylammonium chloride138-24-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook