(S)-1-Phenylethylamine

C₈H₁₁NCAS 2627-86-3121.18 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₈H₁₁N
Molar mass: 121.18 g/mol
Exact mass: 121.0891 Da
Density: 0.952 g/mL (at 21 °C)
Melting point: 168–169 °C
Boiling point: 184–186 °C
logP: 1.71Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302+H312 Harmful if swallowed or in contact with skin68.5% of notifiers
H302 Harmful if swallowed99.7% of notifiers
H312 Harmful in contact with skin75.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage91% of notifiers
H319 Causes serious eye irritation68.5% of notifiers

Aggregated from 644 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2627-86-3

SMILES

C[C@H](N)c1ccccc1

InChIKey

RQEUFEKYXDPUSK-ZETCQYMHSA-N

InChI

InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1

Weigh it out

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

Names and synonyms

50 names · show all

Benzenemethanamine, α-methyl-, (αS)-
Benzylamine, α-methyl-, (S)-(-)-
Benzenemethanamine, α-methyl-, (S)-
Benzylamine, α-methyl-, (-)-
(αS)-α-Methylbenzenemethanamine
D-(-)-(α-Phenylethyl)amine
(-)-1-Phenylethylamine
L-(-)-α-Methylbenzylamine
(-)-α-Methylbenzylamine
L-(-)-α-Phenylethylamine
(S)-(-)-α-Phenylethylamine
(S)-α-Phenethylamine
(S)-(-)-α-Methylbenzylamine
(S)-(-)-α-Phenethylamine
(-)-α-Phenylethylamine
S-α-Methylbenzylamine
L-(-)-1-Phenylethylamine
L-α-Phenylethylamine
(-)-α-Phenethylamine
(S)-(-)-Phenethylamine
(S)-α-Phenylethylamine
(S)-Phenethylamine
(S)-1-Phenylethanamine
(S)-α-Methylbenzenemethanamine
L-Phenethylamine
(1S)-Phenylethylamine
(1S)-(-)-1-Phenylethylamine
(S)-1-Phenethylamine
(-)-1-Phenethylamine
(S)-(-)-1-Phenethylamine
(S)-(-)-1-Phenylethylamine
(-)-Phenylethylamine
(-)-1-Amino-1-phenylethane
(S)-1-Amino-1-phenylethane
(S)-Methylbenzylamine
L-α-Methylbenzylamine
(-)-α-Methylbenzenemethanamine
(aS)-α-Methylbenzenemethanamine
(S)-Phenylethylamine
L-1-Amino-ethylbenzene
1-(S)-Phenylethylamine
(1S)-1-Phenylethylamine
(S)-1-Phenyl-1-aminoethane
(S)-1-Aminoethylbenzene
(1S)-1-Phenylethanamine
(S)-1-Phenyl-1-ethanamine
(-)-((S)-α-Methylbenzyl)amine
(S)-(-)-Phenylethylamine
L-1-Phenylethylamine
(1S)-1-Phenylethan-1-amine

Reactions

d- AND l-α-PHENYLETHYLAMINE (Benzylamine, α-methyl-, d- and l-)product

Work with (S)-1-Phenylethylamine

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

(+)-Phenylethylamine3886-69-9100 % similar 1-Phenylethylamine618-36-0100 % similar 1-Phenylethylamine98-84-0100 % similar (-)-1-(4-Methylphenyl)ethylamine27298-98-258 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-658 % similar 1-(4-Bromophenyl)ethylamine24358-62-156 % similar (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-156 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-356 % 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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