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(E)-N-(4-Methylphenyl)-3-phenyl-prop-2-enamide

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Name

(E)-N-(4-Methylphenyl)-3-phenyl-prop-2-enamide

EINECS N/A
CAS No. 6876-68-2 Density 1.142 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C16H15NO Boiling Point 443.5 °C at 760 mmHg
Molecular Weight 237.301 Flash Point 267.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6876-68-2 ((E)-N-(4-Methylphenyl)-3-phenyl-prop-2-enamide) Hazard Symbols N/A
Synonyms

p-Cinnamotoluidide;

Article Data 14

(E)-N-(4-Methylphenyl)-3-phenyl-prop-2-enamide Specification

The (E)-N-(4-Methylphenyl)-3-phenyl-prop-2-enamide has CAS registry number 6876-68-2. This chemical's molecular formula is C16H15NO and molecular weight is 237.296400. What's more, its systematic name is (2E)-N-(4-Methylphenyl)-3-phenylprop-2-enamide.

Physical properties about (E)-N-(4-Methylphenyl)-3-phenyl-prop-2-enamide are: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 905.11; (6)ACD/BCF (pH 7.4): 905.14; (7)ACD/KOC (pH 5.5): 4549.92; (8)ACD/KOC (pH 7.4): 4550.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 76.17 cm3; (15)Molar Volume: 207.6 cm3; (16)Polarizability: 30.19×10-24 cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 267.8 °C; (20)Enthalpy of Vaporization: 70.11 kJ/mol; (21)Boiling Point: 443.5 °C at 760 mmHg; (22)Vapour Pressure: 4.63E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(cc1)C)\C=C\c2ccccc2
(2) InChI: InChI=1/C16H15NO/c1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-9+
(3) InChIKey: BZTAHBIRTCNRAW-FMIVXFBMBG

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