2-(3-aminophenyl)propan-2-ol

• ChemBase ID: 247381
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(C(O)(C)C)cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)C(O)(C)C
• InChI: InChI=1S/C9H13NO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,10H2,1-2H3
• InChIKey: IYRJPNNPDGGYSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-aminophenyl)propan-2-ol
• IUPAC Traditional name: 2-(3-aminophenyl)propan-2-ol
• Synonyms: 2-(3-aminophenyl)propan-2-ol

Database IDs

• MDL Number: MFCD20701062
• PubChem SID: 164303291
• PubChem CID: 10261264

CALCULATED PROPERTIES

• Acid pKa: 14.665498
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0512516
• LogD (pH = 7.4): 1.0738262
• Log P: 1.0741218
• Molar Refractivity: 46.6313 cm^3
• Polarizability: 17.610317 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.585

Product Information

• Purity: 95%