2-hydroxy-N,N-dimethylbenzamide

• ChemBase ID: 143835
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: CN(C)C(=O)c1ccccc1O
• Canonical SMILES: CN(C(=O)c1ccccc1O)C
• InChI: InChI=1S/C9H11NO2/c1-10(2)9(12)7-5-3-4-6-8(7)11/h3-6,11H,1-2H3
• InChIKey: UBAYZMJYXBTDBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N,N-dimethylbenzamide
• IUPAC Traditional name: N,N-dimethylsalicylamide
• Synonyms: 2-Hydroxy-N,N-dimethylbenzamide; 2-hydroxy-N,N-dimethylbenzamide

Database IDs

• CAS Number: 1778-08-1
• MDL Number: MFCD00456946
• PubChem SID: 162238052
• PubChem CID: 74500

CALCULATED PROPERTIES

• Acid pKa: 8.18163
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6167763
• LogD (pH = 7.4): 1.5517362
• Log P: 1.6176729
• Molar Refractivity: 46.9107 cm^3
• Polarizability: 17.453133 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): 0.481

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C9H11NO2

DETAILS

Sigma Aldrich - CBR00188

Other Notes
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Legal Information
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