2-methyl-N-(triphenylmethyl)prop-2-enamide

• ChemBase ID: 143278
• Molecular Formular: C23H21NO
• Molecular Mass: 327.41894
• Monoisotopic Mass: 327.1623143
• SMILES: CC(=C)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(C(=C)C)NC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H21NO/c1-18(2)22(25)24-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,1H2,2H3,(H,24,25)
• InChIKey: UTYRFBWBJRYRSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(triphenylmethyl)prop-2-enamide
• IUPAC Traditional name: 2-methyl-N-(triphenylmethyl)prop-2-enamide
• Synonyms: TrMAM; 2-Methyl-N-(triphenylmethyl)-2-propenamide; N-(Triphenylmethyl)methacrylamide; 2-甲基-N-(三苯甲基)-2-丙烯酰胺; N-(三苯甲基)甲基丙烯酰胺

Database IDs

• CAS Number: 275371-79-4
• MDL Number: MFCD17171294
• PubChem SID: 162237499
• PubChem CID: 12014368

CALCULATED PROPERTIES

• Acid pKa: 13.096773
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.5021586
• LogD (pH = 7.4): 5.5021853
• Log P: 5.5021863
• Molar Refractivity: 103.4176 cm^3
• Polarizability: 39.77153 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 130-135 °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
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C23H21NO

DETAILS

Sigma Aldrich - 731781

Packaging
1, 5 g in glass bottle