(2R)-2-amino-2-phenylacetic acid hydrochloride

• ChemBase ID: 287164
• Molecular Formular: C8H10ClNO2
• Molecular Mass: 187.6235
• Monoisotopic Mass: 187.04000625
• SMILES: O=C(O)[C@H](N)c1ccccc1.Cl
• Canonical SMILES: N[C@H](c1ccccc1)C(=O)O.Cl
• InChI: InChI=1S/C8H9NO2.ClH/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7H,9H2,(H,10,11);1H/t7-;/m1./s1
• InChIKey: IAZPUJDTYUZJMI-OGFXRTJISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-phenylacetic acid hydrochloride
• IUPAC Traditional name: D-α-phenylglycine hydrochloride
• Synonyms: (R)-2-Amino-2-phenylacetic acid hydrochloride

Database IDs

• CAS Number: 25705-52-6
• MDL Number: MFCD08443602
• PubChem SID: 180672695
• PubChem CID: 12238435

CALCULATED PROPERTIES

• Acid pKa: 2.2288363
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4721358
• LogD (pH = 7.4): -1.4860865
• Log P: -1.4724004
• Molar Refractivity: 40.3613 cm^3
• Polarizability: 16.044256 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%