(5-amino-2,4-dimethylphenyl)methanol

• ChemBase ID: 278561
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(cc(c(cc1C)C)CO)N
• Canonical SMILES: OCc1cc(N)c(cc1C)C
• InChI: InChI=1S/C9H13NO/c1-6-3-7(2)9(10)4-8(6)5-11/h3-4,11H,5,10H2,1-2H3
• InChIKey: HBSAEXCWLRAGJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-amino-2,4-dimethylphenyl)methanol
• IUPAC Traditional name: (5-amino-2,4-dimethylphenyl)methanol
• Synonyms: (5-amino-2,4-dimethylphenyl)methanol

Database IDs

• MDL Number: MFCD19982597
• PubChem SID: 164334471
• PubChem CID: 54594922

CALCULATED PROPERTIES

• Acid pKa: 15.162323
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3648206
• LogD (pH = 7.4): 1.4032993
• Log P: 1.4038129
• Molar Refractivity: 47.6567 cm^3
• Polarizability: 17.45331 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.775

Product Information

• Purity: 95%