[2-(aminomethyl)phenyl]methanol

• ChemBase ID: 262030
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(c(CO)cccc1)CN
• Canonical SMILES: OCc1ccccc1CN
• InChI: InChI=1S/C8H11NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,10H,5-6,9H2
• InChIKey: FTFHSGKASINZBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(aminomethyl)phenyl]methanol
• IUPAC Traditional name: [2-(aminomethyl)phenyl]methanol
• Synonyms: [2-(aminomethyl)phenyl]methanol; (2-(Aminomethyl)phenyl)methanol

Database IDs

• CAS Number: 4152-92-5
• MDL Number: MFCD09035091
• PubChem SID: 164317940
• PubChem CID: 11275036

CALCULATED PROPERTIES

• Acid pKa: 14.947025
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.597961
• LogD (pH = 7.4): -1.3597404
• Log P: 0.33166447
• Molar Refractivity: 41.3473 cm^3
• Polarizability: 16.156631 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0060

Product Information

• Purity: 95%; 95+%