[3-(aminomethyl)phenyl]methanol

• ChemBase ID: 270912
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1c(CN)cccc1CO
• Canonical SMILES: NCc1cccc(c1)CO
• InChI: InChI=1S/C8H11NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,5-6,9H2
• InChIKey: KCTYUINIEPILPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(aminomethyl)phenyl]methanol
• IUPAC Traditional name: [3-(aminomethyl)phenyl]methanol
• Synonyms: (3-(Aminomethyl)phenyl)methanol; [3-(aminomethyl)phenyl]methanol

Database IDs

• CAS Number: 34231-22-6
• MDL Number: MFCD06212981
• PubChem SID: 164326822
• PubChem CID: 21880609

CALCULATED PROPERTIES

• Acid pKa: 14.9891205
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6532013
• LogD (pH = 7.4): -1.6905153
• Log P: 0.33166447
• Molar Refractivity: 41.3473 cm^3
• Polarizability: 16.156628 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.056

Product Information

• Purity: 95%; 95+%