Products Categories
CAS No.: | 53188-82-2 |
---|---|
Name: | N-Ethyl-N-phenyl-2-butenamide |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H15NO |
Molecular Weight: | 189.257 |
Synonyms: | N-Ethylcrotonanilide;NSC 5684; |
Density: | 1.027g/cm3 |
Boiling Point: | 265.4 °C at 760 mmHg |
Flash Point: | 108.1 °C |
PSA: | 20.31000 |
LogP: | 2.61560 |
What can I do for you?
Get Best Price
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