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2-Propenoic acid,3-(dimethylamino)-2-formyl-, ethyl ester (92385-43-8)

Identification
Name:2-Propenoic acid,3-(dimethylamino)-2-formyl-, ethyl ester
Synonyms:Malonaldehydicacid, [(dimethylamino)methylene]-,ethyl ester (7CI);
CAS:92385-43-8
Molecular Formula: C8H13NO3
Molecular Weight: 171.19
InChI: InChI=1/C8H13NO3/c1-4-12-8(11)7(6-10)5-9(2)3/h5-6H,4H2,1-3H3/b7-5+
Molecular Structure: (C8H13NO3) Malonaldehydicacid, [(dimethylamino)methylene]-,ethyl ester (7CI);
Properties
Flash Point: 366.913 °C at 760 mmHg
Boiling Point: 366.913 °C at 760 mmHg
Density:1.056
Refractive index:1.464
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

Flash Point: 366.913 °C at 760 mmHg
Safety Data