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

• ChemBase ID: 151551
• Molecular Formular: C19H15NO
• Molecular Mass: 273.3285
• Monoisotopic Mass: 273.11536411
• SMILES: C=CC(=O)N(c1ccccc1)c1cccc2c1cccc2
• Canonical SMILES: C=CC(=O)N(c1cccc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C19H15NO/c1-2-19(21)20(16-11-4-3-5-12-16)18-14-8-10-15-9-6-7-13-17(15)18/h2-14H,1H2
• InChIKey: ZAAYATMUFGQSPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(naphthalen-1-yl)-N-phenylprop-2-enamide
• IUPAC Traditional name: N-(naphthalen-1-yl)-N-phenylprop-2-enamide
• Synonyms: N-(1-Naphthyl)-N-phenylacrylamide; N-(1-萘基)-N-苯丙烯酰胺

Database IDs

• CAS Number: 78820-11-8
• MDL Number: MFCD03701558
• PubChem SID: 24879939; 162245704
• PubChem CID: 3579921

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.47875
• LogD (pH = 7.4): 4.47875
• Log P: 4.47875
• Molar Refractivity: 84.9124 cm^3
• Polarizability: 34.027424 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-113 °C(lit.)
• Absorption Wavelength: λmax 221 nm

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Contains: ~1000 ppm MEHQ as additive
• Empirical Formula (Hill Notation): C19H15NO

DETAILS

Sigma Aldrich - 565105

Application
Fluorescent monomer
Packaging
1 g in glass bottle
100 mg in glass bottle