CINNAMAMIDE

The 2-Propenamide,3-phenyl-, (2E)-, with the CAS registry number 22031-64-7, is also known as trans-Cinnamamide. Its EINECS number is 210-707-8. This chemical's molecular formula is C₉H₉NO and molecular weight is 147.17. What's more, its systematic name is (2E)-3-Phenylprop-2-enamide. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. It is harmful if swallowed. When using it, you need wear suitable protective clothing. 

Physical properties of 2-Propenamide,3-phenyl-, (2E)- are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.29; (6)ACD/BCF (pH 7.4): 6.29; (7)ACD/KOC (pH 5.5): 129.77; (8)ACD/KOC (pH 7.4): 129.77; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 45.7 cm³; (15)Molar Volume: 131.2 cm³; (16)Polarizability: 18.11×10^-24 cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.121 g/cm³; (19)Flash Point: 165.6 °C; (20)Enthalpy of Vaporization: 59.49 kJ/mol; (21)Boiling Point: 350.3 °C at 760 mmHg; (22)Vapour Pressure: 4.44E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-phenyl-acrylonitrile at the temperature of 50 °C. This reaction will need reagents H₂O₂, NaOH, DMSO and solvent methanol with the reaction time of 1 hour. The yield is about 100%.

Uses of 2-Propenamide,3-phenyl-, (2E)-: it can be used to produce 3t-phenyl-thioacrylamide by heating. It will need reagent phosphorus pentasulphide and solvent pyridine with the reaction time of 35 min. The yield is about 66%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)N
(2)InChI: InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
(3)InChIKey: APEJMQOBVMLION-VOTSOKGWSA-N