4-cyano-N,N-dimethylbenzamide

• ChemBase ID: 253396
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: C(=O)(c1ccc(C#N)cc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)C#N)C
• InChI: InChI=1S/C10H10N2O/c1-12(2)10(13)9-5-3-8(7-11)4-6-9/h3-6H,1-2H3
• InChIKey: CPSNYKXHMCDALW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyano-N,N-dimethylbenzamide
• IUPAC Traditional name: 4-cyano-N,N-dimethylbenzamide
• Synonyms: 4-cyano-N,N-dimethylbenzamide

Database IDs

• CAS Number: 24167-50-8
• MDL Number: MFCD07186293
• PubChem SID: 164309306
• PubChem CID: 16227796

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1273342
• LogD (pH = 7.4): 1.1273345
• Log P: 1.1273345
• Molar Refractivity: 50.6514 cm^3
• Polarizability: 18.671173 Å^3
• Polar Surface Area: 44.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): 0.215

Product Information

• Purity: 95%