(+)-1-(4-Chlorophenyl)ethylamine

C₈H₁₀ClNCAS 27298-99-3155.63 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₁₀ClN
Molar mass: 155.63 g/mol
Exact mass: 155.0502 Da
Density: 1.1069 g/mL (at 25 °C)
Melting point: 222–224 °C
logP: 2.36Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed73.2% of notifiers
H302 Harmful if swallowed26.8% of notifiers
H315 Causes skin irritation97.3% of notifiers
H317 May cause an allergic skin reaction97.3% of notifiers
H318 Causes serious eye damage97.3% of notifiers
H330 Fatal if inhaled26.8% of notifiers
H331 Toxic if inhaled70.5% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 149 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

27298-99-3

SMILES

C[C@@H](N)c1ccc(Cl)cc1

InChIKey

PINPOEWMCLFRRB-ZCFIWIBFSA-N

InChI

InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all

Benzenemethanamine, 4-chloro-α-methyl-, (αR)-
Benzylamine, p-chloro-α-methyl-, (R)-(+)-
Benzenemethanamine, 4-chloro-α-methyl-, (R)-
(αR)-4-Chloro-α-methylbenzenemethanamine
(R)-1-(4-Chlorophenyl)ethylamine
(R)-4-Chloro-α-methylbenzenemethanamine
(+)-α-(p-Chlorophenyl)ethylamine
(1R)-1-(4-Chlorophenyl)ethanamine
(R)-1-(4-Chlorophenyl)ethanamine
(R)-(+)-1-(4-Chlorophenyl)ethylamine
(R)-4-Chloro-α-methylbenzylamine
(R)-(+)-4-Chloro-α-methylbenzylamine
(R)-1-(4-Chlorophenyl)ethan-1-amine
(1R)-1-(4-Chlorophenyl)ethan-1-amine

Work with (+)-1-(4-Chlorophenyl)ethylamine

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-(4-Chlorophenyl)ethylamine4187-56-8Enantiomer 1-(4-Chlorophenyl)ethylamine6299-02-1Stereo not defined

Similar compounds

(-)-1-(4-Methylphenyl)ethylamine27298-98-258 % similar (+)-1-(4-Methylphenyl)ethylamine4187-38-658 % similar (S)-α-Phenethylamine2627-86-356 % similar (R)-α-Phenethylamine3886-69-956 % similar 1-Phenethylamine618-36-056 % similar 1-Phenylethylamine98-84-056 % similar 1-(4-Bromophenyl)ethylamine24358-62-156 % similar (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-N-methylbenzenemethanamine104-11-0 2-(3-Chlorophenyl)ethylamine13078-79-0 2-(2-Chlorophenyl)ethylamine13078-80-3 4-Chloro-N-ethylbenzenamine13519-75-0 2-(4-Chlorophenyl)ethylamine156-41-2 4-Chloro-2,6-dimethylaniline24596-18-7 3-Chloro-2,6-dimethylaniline26829-77-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook