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332013-42-0

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Basic Information
CAS No.: 332013-42-0
Name: 2-METHYLCARBAMOYLISONICOTINIC ACID ETHYL ESTER
Article Data: 4
Molecular Structure:
Molecular Structure of 332013-42-0 (2-METHYLCARBAMOYLISONICOTINIC ACID ETHYL ESTER)
Formula: C10H12N2O3
Molecular Weight: 208.217
Synonyms: 2-Methylcarbamoylisonicotinicacid ethyl ester;Ethyl 2-(methylcarbamoyl)pyridine-4-carboxylate;2-[(Methylamino)carbonyl]-pyridine-4-carboxylic acid ethyl ester;
Density: 1.173 g/cm3
Boiling Point: 371.4 °C at 760 mmHg
Flash Point: 178.4 °C
PSA: 68.29000
LogP: 1.00880
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Specification

The 4-Pyridinecarboxylicacid, 2-[(methylamino)carbonyl]-, ethyl ester, with the CAS registry number 332013-42-0, is also known as 2-[(Methylamino)carbonyl]-pyridine-4-carboxylic acid ethyl ester. This chemical's molecular formula is C10H12N2O3 and molecular weight is 208.21. What's more, its systematic name is ethyl 2-(methylcarbamoyl)pyridine-4-carboxylate.

Physical properties of 4-Pyridinecarboxylicacid, 2-[(methylamino)carbonyl]-, ethyl ester are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 2.17; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 60.53; (8)ACD/KOC (pH 7.4): 60.53; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.29 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 54.37 cm3; (15)Molar Volume: 177.4 cm3; (16)Polarizability: 21.55×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 178.4 °C; (20)Enthalpy of Vaporization: 61.84 kJ/mol; (21)Boiling Point: 371.4 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC)c1cc(ccn1)C(=O)OCC
(2)InChI: InChI=1S/C10H12N2O3/c1-3-15-10(14)7-4-5-12-8(6-7)9(13)11-2/h4-6H,3H2,1-2H3,(H,11,13)
(3)InChIKey: LZNFXTXORKMKRF-UHFFFAOYSA-N