Methyl 4-bromo-L-phenylalaninate hydrochloride

C10H13BrClNO2CAS 99359-32-7294.57 g/mol

Open in Covalent MOL file
OOBrH2NHCl
Aryl halideEsterPrimary amine

Properties

Molecular formula
C10H13BrClNO2
Molar mass
294.57 g/mol
Exact mass
292.9818 Da
logP
1.91Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
99359-32-7
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)Br)N.Cl
InChIKey
MCYQWPUGHHRKME-FVGYRXGTSA-N
InChI
InChI=1S/C10H12BrNO2.ClH/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m0./s1

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Names and synonyms

1 names
  • (S)-Methyl 2-amino-3-(4-bromophenyl)propanoate hydrochloride

Work with Methyl 4-bromo-L-phenylalaninate hydrochloride

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

Similar compounds

Methyl L-tyrosinate hydrochloride3417-91-276 % similar Methyl D-tyrosinate hydrochloride3728-20-976 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-673 % similar Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-873 % similar Methyl L-phenylalaninate hydrochloride7524-50-773 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-171 % similar 4-Chloro-D-phenylalanine methyl ester hydrochloride33965-47-871 % similar Methyl L-tyrosinate1080-06-468 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-3-Amino-4-(4-bromophenyl)butanoic acid hydrochloride270062-84-5

Elsewhere

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