2-amino-2-phenylpropan-1-ol

• ChemBase ID: 265833
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: C(c1ccccc1)(N)(CO)C
• Canonical SMILES: OCC(c1ccccc1)(N)C
• InChI: InChI=1S/C9H13NO/c1-9(10,7-11)8-5-3-2-4-6-8/h2-6,11H,7,10H2,1H3
• InChIKey: WAQCLDRCXNFRBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-phenylpropan-1-ol
• IUPAC Traditional name: 2-amino-2-phenylpropan-1-ol
• Synonyms: 2-amino-2-phenylpropan-1-ol

Database IDs

• MDL Number: MFCD12827154
• PubChem SID: 164321743
• PubChem CID: 349733

CALCULATED PROPERTIES

• Acid pKa: 14.69993
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2272236
• LogD (pH = 7.4): -1.2063528
• Log P: 0.74925596
• Molar Refractivity: 45.1321 cm^3
• Polarizability: 18.007996 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.592

Product Information

• Purity: 95%