chempirical

Benzeneethanamine

C8H11NCAS 64-04-0121.18 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C8H11N
Molar mass
121.18 g/mol
Exact mass
121.0891 Da
Density
1.108 g/mL (at 13 °C)
Melting point
−60 °C
Boiling point
194.5–195 °C
pKa
9.83 (25 °C)
Flash point
81 °C (closed cup)
Water solubility
soluble
logP
1.19Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 1,549 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number
64-04-0
SMILES
NCCc1ccccc1
InChIKey
BHHGXPLMPWCGHP-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2

Weigh it out

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

Names and synonyms

19 names · show all
  • Phenethylamine
  • (β-Aminoethyl)benzene
  • 1-Amino-2-phenylethane
  • β-Phenylethylamine
  • β-Phenethylamine
  • 2-Phenylethylamine
  • 2-Phenethylamine
  • Ethanamine, 2-phenyl-
  • (2-Aminoethyl)benzene
  • 2-Amino-1-phenylethane
  • 2-Phenyl-1-ethylamine
  • PEA
  • N-(2-Phenylethyl)amine
  • o-PEA
  • 2-Phenylethanamine
  • NSC 10811
  • 2-Phenylethaneamine
  • Phenylethylamine
  • 2-Phenylethan-1-amine

Reactions

Work with Benzeneethanamine

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.

2-Phenylethylamine hydrochloride156-28-5Salt

Similar compounds

Benzenepropanamine2038-57-574 % similar Benzenebutanamine13214-66-970 % similar Bibenzyl103-29-759 % similar 2-(3-Chlorophenyl)ethylamine13078-79-056 % similar 3-Pyridineethaneamine20173-24-456 % similar 3-Fluorophenethylamine404-70-656 % similar 1,3-Diphenylpropane1081-75-056 % similar Benzylamine100-46-955 % similar

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

Same formula

3-Methylbenzylamine100-81-2 N-Methylbenzylamine103-67-3 N-Ethylaniline103-69-5 4-Methylbenzylamine104-84-7 5-Ethyl-2-methylpyridine104-90-5 3,5-Xylidine108-69-0 2,4,6-Trimethylpyridine108-75-8 4-Propylpyridine1122-81-2

Elsewhere

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