(S)-1-(3-Bromophenyl)ethylamine

C₈H₁₀BrNCAS 139305-96-7200.08 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₁₀BrN
Molar mass: 200.08 g/mol
Exact mass: 198.9997 Da
logP: 2.47Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed90.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H411 Toxic to aquatic life with long lasting effects88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

139305-96-7

SMILES

C[C@@H](C1=CC(=CC=C1)Br)N

InChIKey

LIBZHYLTOAGURM-LURJTMIESA-N

InChI

InChI=1S/C8H10BrN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(S)-1-(3-Bromophenyl)ethanamine

Work with (S)-1-(3-Bromophenyl)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.

(R)-1-(3-Bromophenyl)ethanamine176707-77-0Enantiomer

Similar compounds

3-Bromocumene5433-01-262 % similar (αR)-4-Bromo-α-methylbenzenemethanamine45791-36-459 % similar (R)-1-(3-Fluorophenyl)ethanamine761390-58-358 % similar (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-856 % similar (+)-1-(3-Bromophenyl)ethanol134615-24-056 % similar 1-(3-Bromophenyl)ethanol52780-14-056 % similar (S)-α-Phenethylamine2627-86-354 % similar (R)-α-Phenethylamine3886-69-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-N,N-dimethylaniline16518-62-0 1-(4-Bromophenyl)ethylamine24358-62-1 4-Bromo-2,6-dimethylbenzenamine24596-19-8 (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-1 4-Bromo-2-methylbenzylamine376646-62-7 2-Bromo-4,6-dimethylbenzenamine41825-73-4 4-Bromo-2-ethylaniline45762-41-2

Elsewhere

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