2-methyl-N-(naphthalen-1-yl)-N-phenylprop-2-enamide

• ChemBase ID: 151548
• Molecular Formular: C20H17NO
• Molecular Mass: 287.35508
• Monoisotopic Mass: 287.13101417
• SMILES: CC(=C)C(=O)N(c1ccccc1)c1cccc2c1cccc2
• Canonical SMILES: CC(=C)C(=O)N(c1cccc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C20H17NO/c1-15(2)20(22)21(17-11-4-3-5-12-17)19-14-8-10-16-9-6-7-13-18(16)19/h3-14H,1H2,2H3
• InChIKey: BLVLNPMGKHGHJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(naphthalen-1-yl)-N-phenylprop-2-enamide
• IUPAC Traditional name: 2-methyl-N-(naphthalen-1-yl)-N-phenylprop-2-enamide
• Synonyms: N-(1-Naphthyl)-N-phenylmethacrylamide; N-(1-萘基)-N-苯基甲酰胺; N-(1-萘基)-N-苯基甲基丙烯酰胺

Database IDs

• CAS Number: 141029-31-4
• MDL Number: MFCD03701557
• PubChem SID: 162245701; 24879937
• PubChem CID: 4563902

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.874301
• LogD (pH = 7.4): 4.874301
• Log P: 4.874301
• Molar Refractivity: 89.2695 cm^3
• Polarizability: 35.87417 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112-118 °C(lit.); 112-118°C
• Absorption Wavelength: λmax 222 nm

Safety Information

• Storage Warning: Air & Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Contains: 500-1,000 ppm MEHQ as additive
• Empirical Formula (Hill Notation): C20H17NO

DETAILS

Sigma Aldrich - 565091

Packaging
100 mg in glass bottle