γ-Aminobenzenepropanol

C₉H₁₃NOCAS 14593-04-5151.21 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₉H₁₃NO
Molar mass: 151.21 g/mol
Exact mass: 151.0997 Da
Melting point: 74.5–75 °C
Boiling point: 117–118 °C (at 0.5 Torr)
logP: 1.07Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

14593-04-5

SMILES

NC(CCO)c1ccccc1

InChIKey

SEQXIQNPMQTBGN-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2

Weigh it out

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

Names and synonyms

5 names

Benzenepropanol, γ-amino-
1-Propanol, 3-amino-3-phenyl-
3-Amino-3-phenyl-1-propanol
3-Amino-3-phenylpropanol
3-Hydroxy-1-phenylpropylamine

Work with γ-Aminobenzenepropanol

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.

(S)-1-Phenyl-3-propanolamine82769-76-4Defined stereoisomer (R)-3-Amino-3-phenylpropan-1-ol170564-98-4Defined stereoisomer

Similar compounds

(S)-3-(4-Chlorophenyl)-beta-alaninol886061-26-363 % similar 2-Amino-2-phenylethan-1-ol20989-17-763 % similar (R)-Beta-aminophenethyl alcohol56613-80-063 % similar Phenylglycinol7568-92-563 % similar γ-Phenylbenzenepropanol20017-67-859 % similar 1,2-Diphenylethylamine25611-78-352 % similar 1-Phenylpropan-1-amine2941-20-052 % similar (+)-1-Phenylpropylamine3082-64-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzylethanolamine104-63-2 3-Ethylamino-p-cresol120-37-6 3-Methoxy-N,N-dimethylbenzenamine15799-79-8 Phenylalaninol16088-07-6 4-(Dimethylamino)benzyl alcohol1703-46-4 3-Methoxyphenethylamine2039-67-0 2-Methoxyphenethylamine2045-79-6

Elsewhere

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