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Name |
2-Butenamide,N-ethyl-N-phenyl- |
EINECS | N/A |
CAS No. | 53188-82-2 | Density | 1.027g/cm3 |
PSA | 20.31000 | LogP | 2.61560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H15NO | Boiling Point | 265.4 °C at 760 mmHg |
Molecular Weight | 189.257 | Flash Point | 108.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-Ethylcrotonanilide;NSC 5684; |
Article Data | 3 |
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