chempirical

(3R)-3-Amino-3-phenylpropanoic acid hydrochloride

C9H12ClNO2CAS 83649-48-3201.65 g/mol

Open in Covalent MOL file
HClH2NOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H12ClNO2
Molar mass
201.65 g/mol
Exact mass
201.0557 Da
Melting point
195–198 °C
logP
1.58Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
83649-48-3
SMILES
Cl.N[C@H](CC(=O)O)c1ccccc1
InChIKey
ABEBCTCOPRULFS-DDWIOCJRSA-N
InChI
InChI=1S/C9H11NO2.ClH/c10-8(6-9(11)12)7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m1./s1

Weigh it out

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

Names and synonyms

5 names
  • Benzenepropanoic acid, β-amino-, hydrochloride (1:1), (βR)-
  • Benzenepropanoic acid, β-amino-, hydrochloride, (R)-
  • Benzenepropanoic acid, β-amino-, hydrochloride, (βR)-
  • (R)-3-Amino-3-phenylpropanoic acid hydrochloride
  • (R)-3-Amino-3-phenylpropionic acid hydrochloride

Work with (3R)-3-Amino-3-phenylpropanoic 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

Similar compounds

(+)-3-Amino-3-phenylpropanoic acid13921-90-990 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-890 % similar Dl-β-phenylalanine614-19-790 % similar Dl-beta-(3-bromophenyl)alanine117391-50-164 % similar (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-462 % similar (S)-β-Amino-β-(4-bromophenyl)propionic acid275826-36-362 % similar β-Amino-3-fluorobenzenepropanoic acid117391-51-262 % similar (R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-262 % similar

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

Same formula

3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-1 D-Phenylglycine methyl ester hydrochloride19883-41-1 Benzocaine hydrochloride23239-88-5 Glycine benzyl ester monohydrochloride2462-31-9

Elsewhere

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