(2R)-2-amino-2-(4-aminophenyl)acetic acid

• ChemBase ID: 797404
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: [C@H](C(=O)O)(c1ccc(cc1)N)N
• Canonical SMILES: N[C@H](c1ccc(cc1)N)C(=O)O
• InChI: InChI=1S/C8H10N2O2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,9-10H2,(H,11,12)/t7-/m1/s1
• InChIKey: OOASNXLDNAKYSG-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-(4-aminophenyl)acetic acid
• IUPAC Traditional name: (R)-amino(4-aminophenyl)acetic acid
• Synonyms: (R)-2-AMino-2-(4-aMinophenyl)acetic acid

Database IDs

• CAS Number: 35619-39-7

CALCULATED PROPERTIES

• Acid pKa: 1.2483054
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.4302342
• LogD (pH = 7.4): -2.3133678
• Log P: -2.3095505
• Molar Refractivity: 45.0617 cm^3
• Polarizability: 17.195004 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%