2-amino-2-(naphthalen-2-yl)acetic acid hydrochloride

• ChemBase ID: 811338
• Molecular Formular: C12H12ClNO2
• Molecular Mass: 237.68218
• Monoisotopic Mass: 237.05565631
• SMILES: Cl.C(C(=O)O)(c1ccc2c(cccc2)c1)N
• Canonical SMILES: OC(=O)C(c1ccc2c(c1)cccc2)N.Cl
• InChI: InChI=1S/C12H11NO2.ClH/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7,11H,13H2,(H,14,15);1H
• InChIKey: BGWXXGCAWFXWAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(naphthalen-2-yl)acetic acid hydrochloride
• IUPAC Traditional name: amino(naphthalen-2-yl)acetic acid hydrochloride
• Synonyms: AMINO-NAPHTHALEN-2-YL-ACETIC ACID HYDROCHLORIDE

Database IDs

• CAS Number: 433292-03-6

CALCULATED PROPERTIES

• Acid pKa: 2.4245043
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.48133975
• LogD (pH = 7.4): -0.49713555
• Log P: -0.48158506
• Molar Refractivity: 56.8115 cm^3
• Polarizability: 23.569647 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%