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Name |
Ethyl 3-dimethylamino-2-formylacrylate |
EINECS | N/A |
CAS No. | 92385-43-8 | Density | 1.056 g/cm3 |
PSA | 46.61000 | LogP | 0.19390 |
Solubility | N/A | Melting Point |
149-150 °C |
Formula | C8H13NO3 | Boiling Point | 366.913 °C at 760 mmHg |
Molecular Weight | 171.196 | Flash Point | 175.703 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Malonaldehydicacid, [(dimethylamino)methylene]-,ethyl ester (7CI); |
Article Data | 2 |
The Ethyl 3-dimethylamino-2-formylacrylate, with the CAS registry number 92385-43-8, is also known as Ethyl 3-N,N-dimethylamino-2-formylacrylate and 3-(Dimethylamino)-2-formyl-2-propenoic acid ethyl ester. It belongs to the product category of Aliphatic Compound. This chemical's molecular formula is C8H13NO3 and molecular weight is 171.19. What's more, systematic name of the Ethyl 3-dimethylamino-2-formylacrylate is called Ethyl (2E)-3-(dimethylamino)-2-formylprop-2-enoate.
Physical properties about Ethyl 3-dimethylamino-2-formylacrylate are: (1) ACD/LogP: 1.01; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0; (4) ACD/LogD (pH 7.4): 0; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 41; (8) ACD/KOC (pH 7.4): 42; (9) #H bond acceptors: 4; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 46.61 Å2; (13) Index of Refraction: 1.464; (14) Molar Refractivity: 44.695 cm3; (15) Molar Volume: 162.059 cm3; (16) Surface Tension: 34.628 dyne/cm; (17) Density: 1.056 g/cm3; (18) Flash Point: 175.703 °C; (19) Enthalpy of Vaporization: 61.338 kJ/mol; (20) Boiling Point: 366.913 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C; (22) Melting Point: 149-150 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C\C(=C/N(C)C)C(=O)OCC
(2) InChI: InChI=1/C8H13NO3/c1-4-12-8(11)7(6-10)5-9(2)3/h5-6H,4H2,1-3H3/b7-5+
(3) InChIKey: BWSIQAALZBOBQJ-FNORWQNLBL