(2-aminophenyl)(phenyl)methanol

• ChemBase ID: 8801
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: c1ccc(N)c(c1)C(c1ccccc1)O
• Canonical SMILES: Nc1ccccc1C(c1ccccc1)O
• InChI: InChI=1S/C13H13NO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13,15H,14H2
• InChIKey: NAWYZLGDGZTAPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminophenyl)(phenyl)methanol
• IUPAC Traditional name: (2-aminophenyl)(phenyl)methanol
• Synonyms: 2-Aminobenzhydrol; (2-Aminophenyl)(phenyl)methanol; 2-[Hydroxy(phenyl)methyl]aniline; (2-AMinophenyl)(phenyl)Methanol

Database IDs

• CAS Number: 13209-38-6
• MDL Number: MFCD00017097
• PubChem SID: 160972108
• PubChem CID: 270810

CALCULATED PROPERTIES

• Acid pKa: 13.7221
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1575494
• LogD (pH = 7.4): 2.1611638
• Log P: 2.1612103
• Molar Refractivity: 61.8571 cm^3
• Polarizability: 23.539751 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114-116°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 98%