4-Bromo-L-phenylalanine

C₉H₁₀BrNO₂CAS 24250-84-8244.09 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₀BrNO₂
Molar mass: 244.09 g/mol
Exact mass: 242.9895 Da
logP: 1.40Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

24250-84-8

SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)Br

InChIKey

PEMUHKUIQHFMTH-QMMMGPOBSA-N

InChI

InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

Weigh it out

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

Work with 4-Bromo-L-phenylalanine

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)-2-Amino-3-(4-bromophenyl)propionic acid62561-74-4Enantiomer 4-Bromophenylalanine14091-15-7Stereo not defined

Similar compounds

D-Tyrosine556-02-576 % similar DL-Tyrosine556-03-676 % similar Tyrosine60-18-476 % similar Tyrosine hydrochloride16870-43-269 % similar 4-Amino-DL-phenylalanine2922-41-069 % similar 4-Amino-L-phenylalanine943-80-669 % similar 3-Bromo-L-phenylalanine82311-69-168 % similar 3-Bromo-D-phenylalanine99295-78-068 % similar

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

Same formula

Methyl 3-amino-5-bromo-2-methylbenzoate1000342-11-9 Dl-beta-(3-bromophenyl)alanine117391-50-1 Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-0 (2R)-2-Amino-3-(2-bromophenyl)propanoic acid267225-27-4 (S)-3-Amino-3-(3-bromo-phenyl)-propionic acid275826-35-2 (S)-β-Amino-β-(4-bromophenyl)propionic acid275826-36-3 2-Bromophenylalanine42538-40-9

Elsewhere

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