2,2-diphenylacetamide

• ChemBase ID: 302091
• Molecular Formular: C14H13NO
• Molecular Mass: 211.25912
• Monoisotopic Mass: 211.09971404
• SMILES: c1ccc(cc1)C(c1ccccc1)C(=O)N
• Canonical SMILES: NC(=O)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H13NO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,15,16)
• InChIKey: ZXQVXEAZKZFEEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diphenylacetamide
• IUPAC Traditional name: acetamide, 2,2-diphenyl-
• Synonyms: 2,2-Diphenylacetamide; 2,2-联苯基乙酰胺

Database IDs

• CAS Number: 4695-13-0
• MDL Number: MFCD00025496
• Beilstein Number: 1871583
• Merck Index: 143316

CALCULATED PROPERTIES

• Acid pKa: 16.314484
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4808416
• LogD (pH = 7.4): 2.4808416
• Log P: 2.4808416
• Molar Refractivity: 63.8573 cm^3
• Polarizability: 24.835491 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164-167°C

Safety Information

• RTECS: AB8135000
• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A

Product Information

• Purity: 98%