[4-(dimethylamino)phenyl]methanol

• ChemBase ID: 74315
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: OCc1ccc(cc1)N(C)C
• Canonical SMILES: OCc1ccc(cc1)N(C)C
• InChI: InChI=1S/C9H13NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-6,11H,7H2,1-2H3
• InChIKey: WQBCAASPALGAKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(dimethylamino)phenyl]methanol
• IUPAC Traditional name: [4-(dimethylamino)phenyl]methanol
• Synonyms: [4-(dimethylamino)phenyl]methanol; 4-(DIMETHYLAMINO)BENZYL ALCOHOL; N,N-Dimethyl-4-(hydroxymethyl)aniline; 4-(Dimethylamino)benzyl alcohol 97%

Database IDs

• CAS Number: 1703-46-4
• MDL Number: MFCD03840449
• PubChem SID: 162039234
• PubChem CID: 137166

CALCULATED PROPERTIES

• Acid pKa: 15.147011
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2350434
• LogD (pH = 7.4): 1.3128519
• Log P: 1.3139399
• Molar Refractivity: 47.3025 cm^3
• Polarizability: 17.609655 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 125-126°C
• Hydrophobicity(logP): 1.269

Safety Information

• Storage Warning: Irritant/Store at -20oC

Product Information

• Purity: 95%; 98%