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1019995-16-4

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Basic Information
CAS No.: 1019995-16-4
Name: Ethyl 4-(4-ethoxy-4-oxobutanamido)nicotinate
Molecular Structure:
Molecular Structure of 1019995-16-4 (Ethyl 4-(4-ethoxy-4-oxobutanamido)nicotinate)
Formula: C14H18N2O5
Molecular Weight: 294.30312
Synonyms: TC-064163;Ethyl 4-[(4-ethoxy-4-oxobutanoyl)amino]pyridine-3-carboxylate;
Density: 1.228 g/cm3
Boiling Point: 487.08 °C at 760 mmHg
Flash Point: 248.377 °C
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Specification

The Ethyl 4-(4-ethoxy-4-oxobutanamido)nicotinate, with the CAS registry number 1019995-16-4, is also known as TC-064163. This chemical's molecular formula is C14H18N2O5 and molecular weight is 294.30312. What's more, its IUPAC name is Ethyl 4-[(4-ethoxy-4-oxobutanoyl)amino]pyridine-3-carboxylate.

Physical properties about Ethyl 4-(4-ethoxy-4-oxobutanamido)nicotinate are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.413; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 6.909; (6)ACD/BCF (pH 7.4): 7.191; (7)ACD/KOC (pH 5.5): 137.228; (8)ACD/KOC (pH 7.4): 142.841; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 94.59 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 75.328 cm3; (15)Molar Volume: 239.648 cm3; (16)Polarizability: 29.863×10-24 cm3; (17)Surface Tension: 48.881 dyne/cm; (18)Density: 1.228 g/cm3; (19)Flash Point: 248.377 °C; (20)Enthalpy of Vaporization: 75.291 kJ/mol; (21)Boiling Point: 487.08 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)CCC(=O)Nc1ccncc1C(=O)OCC
(2) InChI: InChI=1/C14H18N2O5/c1-3-20-13(18)6-5-12(17)16-11-7-8-15-9-10(11)14(19)21-4-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
(3) InChIKey: MEUVJATVWDXVEW-UHFFFAOYAO