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252921-31-6

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Basic Information
CAS No.: 252921-31-6
Name: 3-(3-Aminophenyl)-4-pyridinecarboxylicacidethylester
Article Data: 1
Molecular Structure:
Molecular Structure of 252921-31-6 (3-(3-Aminophenyl)-4-pyridinecarboxylicacidethylester)
Formula: C14H14N2O2
Molecular Weight: 242.277
Synonyms: 5-(3-Aminophenyl)-4-pyridinecarboxylicacid ethyl ester;
Density: 1.184 g/cm3
Boiling Point: 448.791 °C at 760 mmHg
Flash Point: 225.221 °C
PSA: 65.21000
LogP: 3.08870
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Specification

This chemical is called Ethyl 3-(3-aminophenyl)pyridine-4-carboxylate, and it can also be named as 4-pyridinecarboxylic acid, 3-(3-aminophenyl)-, ethyl ester. With the molecular formula of C14H14N2O2, its molecular weight is 242.27. The CAS registry number of this chemical is 252921-31-6.

Other characteristics of the Ethyl 3-(3-aminophenyl)pyridine-4-carboxylate can be summarised as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 65.21 Å2; (7)Index of Refraction: 1.596; (8)Molar Refractivity: 69.578 cm3; (9)Molar Volume: 204.622 cm3; (10)Polarizability: 27.583×10-24cm3; (11)Surface Tension: 50.416 dyne/cm; (12)Density: 1.184 g/cm3; (13)Flash Point: 225.221 °C; (14)Enthalpy of Vaporization: 70.737 kJ/mol; (15)Boiling Point: 448.791 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C. 

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c2ccncc2c1cc(N)ccc1
2.InChI: InChI=1/C14H14N2O2/c1-2-18-14(17)12-6-7-16-9-13(12)10-4-3-5-11(15)8-10/h3-9H,2,15H2,1H3
3.InChIKey: TWMXELYQVYARBK-UHFFFAOYAZ