(2R)-2-amino-3-(naphthalen-1-yl)propanoic acid hydrochloride

• ChemBase ID: 813302
• Molecular Formular: C13H14ClNO2
• Molecular Mass: 251.70876
• Monoisotopic Mass: 251.07130637
• SMILES: Cl.N[C@H](Cc1c2ccccc2ccc1)C(=O)O
• Canonical SMILES: OC(=O)[C@@H](Cc1cccc2c1cccc2)N.Cl
• InChI: InChI=1S/C13H13NO2.ClH/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m1./s1
• InChIKey: BKQQPCDQZZTLSE-UTONKHPSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-(naphthalen-1-yl)propanoic acid hydrochloride
• IUPAC Traditional name: (2R)-2-amino-3-(naphthalen-1-yl)propanoic acid hydrochloride
• Synonyms: 3-(1-NAPHTHYL)-D-ALANINE HYDROCHLORIDE

Database IDs

• CAS Number: 122745-09-9

CALCULATED PROPERTIES

• Acid pKa: 2.6140146
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.19483837
• LogD (pH = 7.4): -0.19827187
• Log P: -0.19462584
• Molar Refractivity: 61.5665 cm^3
• Polarizability: 25.420156 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%