(±)-2-Phenylpropylamine

C9H13NCAS 582-22-9135.21 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C9H13N
Molar mass
135.21 g/mol
Exact mass
135.1048 Da
Density
0.9483 g/mL (at 20 °C)
Boiling point
210 °C
logP
1.75Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
582-22-9
SMILES
CC(CN)c1ccccc1
InChIKey
AXORVIZLPOGIRG-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzeneethanamine, β-methyl-
  • Phenethylamine, β-methyl-
  • β-Methylbenzeneethanamine
  • 1-Propanamine, 2-phenyl-
  • β-Methylphenethylamine
  • β-Methylphenylethylamine
  • 2-Phenylpropylamine
  • β-Phenylpropylamine
  • (RS)-2-Phenylpropylamine
  • 2-Phenylpropanamine
  • 2-Phenyl-1-propylamine
  • 2-Phenyl-1-propanamine
  • NSC 272273
  • (±)-β-Methylphenethylamine

Work with (±)-2-Phenylpropylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

(2S)-2-Phenylpropan-1-amine17596-79-1Defined stereoisomer (R)-2-Phenyl-1-propylamine28163-64-6Defined stereoisomer β-Methylbenzeneethanamine hydrochloride20388-87-8Salt

Similar compounds

sec-Butylbenzene135-98-858 % similar 2,2-Diphenylethylamine3963-62-056 % similar 2-Phenyl-1-propanol1123-85-956 % similar 1-Bromo-2-phenylpropane1459-00-356 % similar 2-Phenylpropanol37778-99-756 % similar 2-Phenyl-1-propanol98103-87-856 % similar (-)-Phenylethanolamine2549-14-650 % similar (1S)-2-Amino-1-phenylethan-1-ol56613-81-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Ethyl-m-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-m-toluidine121-72-2 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 2-Propylaniline1821-39-2

Elsewhere

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