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92385-43-8

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Basic Information
CAS No.: 92385-43-8
Name: Ethyl 3-dimethylamino-2-formylacrylate
Article Data: 2
Molecular Structure:
Molecular Structure of 92385-43-8 (Ethyl 3-dimethylamino-2-formylacrylate)
Formula: C8H13NO3
Molecular Weight: 171.196
Synonyms: Malonaldehydicacid, [(dimethylamino)methylene]-,ethyl ester (7CI);
Density: 1.056 g/cm3
Melting Point: 149-150 °C
Boiling Point: 366.913 °C at 760 mmHg
Flash Point: 175.703 °C
PSA: 46.61000
LogP: 0.19390
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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