[2-(dimethylamino)phenyl]methanol

• ChemBase ID: 263907
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(c(CO)cccc1)N(C)C
• Canonical SMILES: OCc1ccccc1N(C)C
• InChI: InChI=1S/C9H13NO/c1-10(2)9-6-4-3-5-8(9)7-11/h3-6,11H,7H2,1-2H3
• InChIKey: OOKMNUXTRORHIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)phenyl]methanol
• IUPAC Traditional name: [2-(dimethylamino)phenyl]methanol
• Synonyms: [2-(dimethylamino)phenyl]methanol

Database IDs

• MDL Number: MFCD10693427
• PubChem SID: 164319817
• PubChem CID: 138325

CALCULATED PROPERTIES

• Acid pKa: 14.971187
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3045554
• LogD (pH = 7.4): 1.3138205
• Log P: 1.3139399
• Molar Refractivity: 47.3025 cm^3
• Polarizability: 17.61003 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.269

Product Information

• Purity: 95%