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99984-73-3

Basic Information
CAS No.: 99984-73-3
Name: 4-Amino-2-methylquinoline-6-carboxylic acid
Molecular Structure:
Molecular Structure of 99984-73-3 (4-Amino-2-methylquinoline-6-carboxylic acid)
Formula: C11H10N2O2
Molecular Weight: 202.213
Synonyms: 4-Amino-2-methyl-6-quinolincarboxylicacid;
Density: 1.367g/cm3
Boiling Point: 432.4 °C at 760 mmHg
Flash Point: 215.3 °C
PSA: 76.21000
LogP: 2.40480
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Specification

The 4-Amino-2-methylquinoline-6-carboxylic acid, with cas registry number 99984-73-3, belongs to the following product categories: (1)AMINOACID; (2)Quinolines; (3)quinoline. It has the systematic name of 4-amino-2-methylquinoline-6-carboxylic acid. Besides this, it is also called 6-quinolinecarboxylic acid, 4-amino-2-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 58.17 cm3; (15)Molar Volume: 147.8 cm3; (16)Polarizability: 23.06×10-24cm3; (17)Surface Tension: 72.1 dyne/cm; (18)Enthalpy of Vaporization: 72.54 kJ/mol; (19)Vapour Pressure: 3.04E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc2nc(cc(c2c1)N)C
(2)InChI: InChI=1/C11H10N2O2/c1-6-4-9(12)8-5-7(11(14)15)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)(H,14,15)
(3)InChIKey: MRGARODDQXEDJP-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C11H10N2O2/c1-6-4-9(12)8-5-7(11(14)15)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)(H,14,15)
(5)Std. InChIKey: MRGARODDQXEDJP-UHFFFAOYSA-N