Benzenepropanamine
Properties
- Molecular formula
- C9H13N
- Molar mass
- 135.21 g/mol
- Exact mass
- 135.1048 Da
- Boiling point
- 221 °C
- logP
- 1.58Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 48 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
2038-57-5SMILES
NCCCc1ccccc1InChIKey
LYUQWQRTDLVQGA-UHFFFAOYSA-NInChI
InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- Propylamine, 3-phenyl-
- Hydrocinnamylamine
- 3-Phenylpropylamine
- γ-Phenyl-n-propylamine
- γ-Phenylpropylamine
- 1-Amino-3-phenylpropane
- 3-Phenyl-n-propylamine
- 3-Phenyl-1-propanamine
- 3-Phenyl-1-aminopropane
- 3-Phenylpropanamine
- Phenpropylamine
- NSC 87080
- (3-Phenylpropan-1-yl)amine
Work with Benzenepropanamine
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
Similar compounds
Benzenebutanamine13214-66-984 % similar
Benzeneethanamine64-04-074 % similar
2-Phenylethylamine hydrochloride156-28-564 % similar
1,3-Diphenylpropane1081-75-061 % similar
N-Benzyl-1,3-propanediamine13910-48-058 % similar
Bibenzyl103-29-756 % similar
Benzylamine100-46-952 % similar
2-(Benzyloxy)ethanamine38336-04-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.