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Ethyl 3-dimethylamino-2-formylacrylate

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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 Molecular Structure of 92385-43-8 (Ethyl 3-dimethylamino-2-formylacrylate) Hazard Symbols N/A
Synonyms

Malonaldehydicacid, [(dimethylamino)methylene]-,ethyl ester (7CI);

Article Data 2

Ethyl 3-dimethylamino-2-formylacrylate Specification

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

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