2-Butenamide,N-ethyl-N-phenyl- supplier

Name
N-Ethyl-N-phenyl-2-butenamide
EINECS
CAS No. 53188-82-2
Article Data3
CAS DataBase
Density 1.027g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO
Boiling Point 265.4 °C at 760 mmHg
Molecular Weight 189.257
Flash Point 108.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Ethylcrotonanilide;NSC 5684;
PSA 20.31000
LogP 2.61560

2-Butenamide,N-ethyl-N-phenyl- Specification

The 2-Butenamide,N-ethyl-N-phenyl-, with CAS registry number 53188-82-2, has the systematic name of (2E)-N-ethyl-N-phenylbut-2-enamide. Besides this, it is also called N-Ethyl-N-phenyl-2-butenamide. And the chemical formula of this chemical is C₁₂H₁₅NO.

Physical properties of 2-Butenamide,N-ethyl-N-phenyl-: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.67; (6)ACD/BCF (pH 7.4): 59.67; (7)ACD/KOC (pH 5.5): 649.69; (8)ACD/KOC (pH 7.4): 649.7; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 59.18 cm³; (15)Molar Volume: 184.1 cm³; (16)Polarizability: 23.46×10^-24cm³; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.027 g/cm³; (19)Flash Point: 108.1 °C; (20)Enthalpy of Vaporization: 50.33 kJ/mol; (21)Boiling Point: 265.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00917 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(c1ccccc1)CC)/C=C/C
(2)InChI: InChI=1/C12H15NO/c1-3-8-12(14)13(4-2)11-9-6-5-7-10-11/h3,5-10H,4H2,1-2H3/b8-3+
(3)InChIKey: XTBRQTWUCGWBRA-FPYGCLRLBM
(4)Std. InChI: InChI=1S/C12H15NO/c1-3-8-12(14)13(4-2)11-9-6-5-7-10-11/h3,5-10H,4H2,1-2H3/b8-3+
(5)Std. InChIKey: XTBRQTWUCGWBRA-FPYGCLRLSA-N

Product Name

N-Ethyl-N-phenyl-2-butenamide

2-Butenamide,N-ethyl-N-phenyl- Specification

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