(1S)-1-Phenylpropan-1-amine

C₉H₁₃NCAS 3789-59-1135.21 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₉H₁₃N
Molar mass: 135.21 g/mol
Exact mass: 135.1048 Da
Boiling point: 87–90 °C (at 15 Torr)
logP: 2.10Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed98.1% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage98.1% of notifiers
H411 Toxic to aquatic life with long lasting effects98.1% of notifiers

Aggregated from 107 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

3789-59-1

SMILES

CC[C@H](N)c1ccccc1

InChIKey

AQFLVLHRZFLDDV-VIFPVBQESA-N

InChI

InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3/t9-/m0/s1

Weigh it out

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

Names and synonyms

18 names · show all

(-)-1-Phenylpropylamine
Benzenemethanamine, α-ethyl-, (αS)-
Benzylamine, α-ethyl-, (S)-(-)-
Benzenemethanamine, α-ethyl-, (S)-
Benzylamine, α-ethyl-, l-
(αS)-α-Ethylbenzenemethanamine
(S)-(-)-α-Ethylbenzylamine
(S)-α-Ethylbenzylamine
(S)-1-Phenylpropylamine
(-)-1-Ethylbenzylamine
(S)-α-Phenylpropylamine
(S)-α-Ethylbenzenemethanamine
[(1S)-1-Phenylpropyl]amine
(1S)-1-Phenyl-1-propanamine
(-)-(S)-1-Phenylpropylamine
(S)-(-)-1-Phenylpropylamine
(S)-1-Phenylpropan-1-amine
(S)-(-)-1-Amino-1-phenylpropane

Work with (1S)-1-Phenylpropan-1-amine

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.

(+)-1-Phenylpropylamine3082-64-2Enantiomer 1-Phenylpropan-1-amine2941-20-0Stereo not defined

Similar compounds

1,2-Diphenylethylamine25611-78-362 % similar (1-Ethylpropyl)benzene1196-58-356 % similar 1,1-Diphenylpropane1530-03-656 % similar 2-Amino-2-phenylethan-1-ol20989-17-756 % similar (R)-Beta-aminophenethyl alcohol56613-80-056 % similar Phenylglycinol7568-92-556 % similar sec-Butylbenzene135-98-852 % similar γ-Aminobenzenepropanol14593-04-552 % 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 (2S)-2-Phenylpropan-1-amine17596-79-1 2-Propylaniline1821-39-2

Elsewhere

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