3-hydroxy-N,N-dimethylbenzamide

• ChemBase ID: 256936
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C(=O)(c1cc(O)ccc1)N(C)C
• Canonical SMILES: Oc1cccc(c1)C(=O)N(C)C
• InChI: InChI=1S/C9H11NO2/c1-10(2)9(12)7-4-3-5-8(11)6-7/h3-6,11H,1-2H3
• InChIKey: TULKODADVOEVTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N,N-dimethylbenzamide
• IUPAC Traditional name: 3-hydroxy-N,N-dimethylbenzamide
• Synonyms: 3-hydroxy-N,N-dimethylbenzamide

Database IDs

• MDL Number: MFCD01168918
• PubChem SID: 164312846
• PubChem CID: 637524

CALCULATED PROPERTIES

• Acid pKa: 8.820142
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.96746635
• LogD (pH = 7.4): 0.95157963
• Log P: 0.96767294
• Molar Refractivity: 46.9107 cm^3
• Polarizability: 17.451128 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128°C
• Hydrophobicity(logP): 0.481

Product Information

• Purity: 95%