N,N-diphenylacetamide

• ChemBase ID: 107055
• Molecular Formular: C14H13NO
• Molecular Mass: 211.25912
• Monoisotopic Mass: 211.09971404
• SMILES: CC(=O)N(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(=O)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H13NO/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
• InChIKey: DKLYDESVXZKCFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diphenylacetamide
• IUPAC Traditional name: N,N-diphenylacetamide
• Synonyms: ACETYLDIPHENYLAMINE; N,N-Diphenylacetamide; N-ACETYL-o-BIPHENYLAMIDE; N,N-二苯基乙酰胺

Database IDs

• CAS Number: 519-87-9
• EC Number: 208-277-1
• MDL Number: MFCD00008685
• PubChem SID: 162094263
• PubChem CID: 10615

CALCULATED PROPERTIES

• Acid pKa: 19.672623
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7329807
• LogD (pH = 7.4): 2.7329807
• Log P: 2.7329807
• Molar Refractivity: 63.8145 cm^3
• Polarizability: 24.811163 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-103 °C(lit.)
• Boiling Point: 130 °C/0.02 mmHg(lit.)

Safety Information

• RTECS: AB8133000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Linear Formula: CH3CON(C6H5)2

DETAILS

MP Biomedicals - 05205438

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05202381

MP Biomedicals Rare Chemical collection