chempirical

(S)-3-Amino-4-phenylbutyric acid hydrochloride

C10H14ClNO2CAS 138165-77-2215.68 g/mol

Open in Covalent MOL file
HClH2NOHO
AlcoholCarboxylic AcidHalogenPrimary Amine

Properties

Molecular formula
C10H14ClNO2
Molar mass
215.68 g/mol
Exact mass
215.0713 Da
Melting point
176–178 °C
logP
1.45Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
138165-77-2
SMILES
Cl.N[C@H](CC(=O)O)Cc1ccccc1
InChIKey
MQTMGKGSJOPWJW-FVGYRXGTSA-N
InChI
InChI=1S/C10H13NO2.ClH/c11-9(7-10(12)13)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H/t9-;/m0./s1

Weigh it out

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

Names and synonyms

5 names
  • Benzenebutanoic acid, β-amino-, hydrochloride (1:1), (βS)-
  • Benzenebutanoic acid, β-amino-, hydrochloride, (S)-
  • Benzenebutanoic acid, β-amino-, hydrochloride, (βS)-
  • (S)-β-Aminobenzenebutanoic acid hydrochloride
  • (S)-3-Amino-4-phenylbutanoic acid hydrochloride

Work with (S)-3-Amino-4-phenylbutyric acid 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

Same formula

(S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-0 Methyl (R)-phenylalaninate hydrochloride13033-84-6 Ethyl D-phenylglycinate hydrochloride17609-48-2 Alanine benzyl ester hydrochloride5557-83-5 (±)-Phenylalanine methyl ester hydrochloride5619-07-8 Methyl L-phenylalaninate hydrochloride7524-50-7 2,2′-[(3-Chlorophenyl)imino]bis[ethanol]92-00-2

Elsewhere

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