(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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
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

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.

DL-β-Phenylalanine614-19-7Free base, stereo not defined (+)-3-Amino-3-phenylpropanoic acid13921-90-9Free base (-)-3-Amino-3-phenylpropanoic acid40856-44-8Free base, enantiomer (3S)-3-Amino-3-phenylpropanoic acid hydrochloride83649-47-2Enantiomer

Similar compounds

Dl-beta-(3-bromophenyl)alanine117391-50-164 % similar (S)-3-Amino-3-(3-bromo-phenyl)-propionic acid275826-35-264 % similar 3-Amino-3-(3-methylphenyl)propanoic acid68208-17-364 % similar 4-Amino-3-phenylbutyric acid hydrochloride3060-41-163 % similar (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-362 % similar (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-462 % similar (R)-3-Amino-3-(4-fluorophenyl)-propionic acid151911-23-862 % similar (3S)-3-Amino-3-(4-fluorophenyl)propanoic acid151911-33-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

H-Phg-ome hcl15028-39-4 3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-1 Methyl 3-(aminomethyl)benzoate hydrochloride17841-68-8 D-Phenylglycine methyl ester hydrochloride19883-41-1 Benzocaine hydrochloride23239-88-5 Glycine benzyl ester monohydrochloride2462-31-9 2-Amino-4'-methoxyacetophenone hydrochloride3883-94-1 Methyl 4-(aminomethyl)benzoate hydrochloride6232-11-7

Elsewhere

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