chempirical

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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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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