2-(2-aminophenyl)propan-2-ol

• ChemBase ID: 58437
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1ccc(c(c1)C(C)(C)O)N
• Canonical SMILES: Nc1ccccc1C(O)(C)C
• InChI: InChI=1S/C9H13NO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,10H2,1-2H3
• InChIKey: UZXREFASOUJZAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminophenyl)propan-2-ol
• IUPAC Traditional name: 2-(2-aminophenyl)propan-2-ol
• Synonyms: 2-(2-Aminophenyl)propan-2-ol; 2-(2-aminophenyl)-2-propanol

Database IDs

• CAS Number: 15833-00-8
• MDL Number: MFCD04117984
• PubChem SID: 162063200
• PubChem CID: 253527

CALCULATED PROPERTIES

• Acid pKa: 14.575628
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0695022
• LogD (pH = 7.4): 1.0740633
• Log P: 1.0741218
• Molar Refractivity: 46.6313 cm^3
• Polarizability: 17.610685 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false