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863492-35-7

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Basic Information
CAS No.: 863492-35-7
Name: 2-Aminoquinoline-6-carboxylic acid benzyl ester
Article Data: 3
Molecular Structure:
Molecular Structure of 863492-35-7 (2-Aminoquinoline-6-carboxylic acid benzyl ester)
Formula: C17H14N2O2
Molecular Weight: 278.31
Synonyms: 2-Aminoquinoline-6-carboxylicacid benzyl ester;
Density: 1.278 g/cm3
Melting Point: 199-202 °C
Boiling Point: 480.7 °C at 760 mmHg
Flash Point: 244.5 °C
PSA: 65.21000
LogP: 3.75520
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Specification

The cas register number of 2-Aminoquinoline-6-carboxylic acid benzyl ester is 863492-35-7. It also can be called as 6-Quinolinecarboxylicacid, 2-amino-, phenylmethyl ester and the Systematic name about this chemical is benzyl 2-aminoquinoline-6-carboxylate.

Physical properties about 2-Aminoquinoline-6-carboxylic acid benzyl ester are: (1)ACD/LogP: 3.53; (2)ACD/LogD (pH 5.5): 3.15; (3)ACD/LogD (pH 7.4): 3.52; (4)ACD/BCF (pH 5.5): 117.72; (5)ACD/BCF (pH 7.4): 279.03; (6)ACD/KOC (pH 5.5): 822.67; (7)ACD/KOC (pH 7.4): 1949.94; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 42.43Å2; (12)Index of Refraction: 1.684; (13)Molar Refractivity: 82.68 cm3; (14)Molar Volume: 217.6 cm3; (15)Polarizability: 32.77x10-24cm3; (16)Surface Tension: 60.9 dyne/cm; (17)Enthalpy of Vaporization: 74.52 kJ/mol; (18)Vapour Pressure: 2.12E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)c2ccc3nc(ccc3c2)N
(2)InChI: InChI=1/C17H14N2O2/c18-16-9-7-13-10-14(6-8-15(13)19-16)17(20)21-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,18,19)
(3)InChIKey: VOFYVHYVYNIJOK-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C17H14N2O2/c18-16-9-7-13-10-14(6-8-15(13)19-16)17(20)21-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,18,19)
(5)Std. InChIKey: VOFYVHYVYNIJOK-UHFFFAOYSA-N