N-(diphenylmethyl)prop-2-enamide

• ChemBase ID: 143276
• Molecular Formular: C16H15NO
• Molecular Mass: 237.2964
• Monoisotopic Mass: 237.11536411
• SMILES: C=CC(=O)NC(c1ccccc1)c1ccccc1
• Canonical SMILES: C=CC(=O)NC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H15NO/c1-2-15(18)17-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,16H,1H2,(H,17,18)
• InChIKey: SHXRPEYRCYQSFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(diphenylmethyl)prop-2-enamide
• IUPAC Traditional name: N-(diphenylmethyl)prop-2-enamide
• Synonyms: DPMAm; N-Diphenylmethylacrylamide; N-二苯基甲基丙烯酰胺

Database IDs

• CAS Number: 10254-08-7
• MDL Number: MFCD00081111
• PubChem SID: 162237497
• PubChem CID: 12027357

CALCULATED PROPERTIES

• Acid pKa: 15.592105
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4583838
• LogD (pH = 7.4): 3.4583938
• Log P: 3.458394
• Molar Refractivity: 72.9057 cm^3
• Polarizability: 28.292639 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180-185 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%
• Contains: 50 ppm monomethyl ether hydroquinone as inhibitor
• Empirical Formula (Hill Notation): C16H15NO

DETAILS

Sigma Aldrich - 731145

Packaging
5 g in glass bottle