1-Methyl-3-phenylpropylamine
Properties
- Molecular formula
- C10H15N
- Molar mass
- 149.24 g/mol
- Exact mass
- 149.1204 Da
- Density
- 0.93 g/mL
- Melting point
- 143 °C
- Boiling point
- 223 °C
- logP
- 1.97Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H301 Toxic if swallowed10.7% of notifiers
- H311 Toxic in contact with skin10.7% of notifiers
- H314 Causes severe skin burns and eye damage96.4% of notifiers
- H317 May cause an allergic skin reaction10.7% of notifiers
- H318 Causes serious eye damage14.3% of notifiers
- H412 Harmful to aquatic life with long lasting effects23.2% of notifiers
Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, P501
Identifiers
CAS number
22374-89-6SMILES
CC(N)CCc1ccccc1InChIKey
WECUIGDEWBNQJJ-UHFFFAOYSA-NInChI
InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
17 names · show all
- 2-Amino-4-phenylbutane
- Benzenepropanamine, α-methyl-
- Propylamine, 1-methyl-3-phenyl-
- α-Methylbenzenepropanamine
- 1-Phenyl-3-aminobutane
- 3-Amino-1-phenylbutane
- 4-Phenyl-2-aminobutane
- (±)-α-Methylbenzenepropanamine
- DL-1-Methyl-3-phenylpropylamine
- (±)-1-Methyl-3-phenylpropylamine
- (±)-3-Amino-1-phenylbutane
- (RS)-1-Methyl-3-phenylpropylamine
- NSC 115524
- 4-Phenyl-2-butanamine
- (3-Aminobutyl)benzene
- 4-Phenyl-2-butylamine
- 3-Phenyl-1-methylpropylamine
Work with 1-Methyl-3-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.
Similar compounds
Amphetamine300-62-965 % similar
D-Amphetamine51-64-965 % similar
Isopentylbenzene2049-94-758 % similar
4-Phenyl-2-butanol2344-70-952 % similar
d-Amphetamine sulfate51-63-849 % similar
Bibenzyl103-29-743 % similar
Dl-homophenylalanine1012-05-143 % similar
Isobutylbenzene538-93-243 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.