Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Pyridinecarboxylicacid, 2-[(methylamino)carbonyl]-, ethyl ester |
EINECS | N/A |
CAS No. | 332013-42-0 | Density | 1.173 g/cm3 |
PSA | 68.29000 | LogP | 1.00880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H12N2O3 | Boiling Point | 371.4 °C at 760 mmHg |
Molecular Weight | 208.217 | Flash Point | 178.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Methylcarbamoylisonicotinicacid ethyl ester;Ethyl 2-(methylcarbamoyl)pyridine-4-carboxylate;2-[(Methylamino)carbonyl]-pyridine-4-carboxylic acid ethyl ester; |
Article Data | 4 |
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