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100795-25-3

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Basic Information
CAS No.: 100795-25-3
Name: ethyl4-amino-2-methylquinoline-6-carboxylate
Molecular Structure:
Molecular Structure of 100795-25-3 (ethyl4-amino-2-methylquinoline-6-carboxylate)
Formula: C13H14N2O2
Molecular Weight: 230.266
Synonyms: 4-amino-2-methyl-quinoline-6-carboxylic acid ethyl ester; BB_NC-2411; 4-Amino-2-methyl-chinolin-6-carbonsaeure-aethylester; 6-Quinolinecarboxylicacid,4-amino-2-methyl-,ethyl ester;
Density: 1.213 g/cm3
Boiling Point: 406.1 °C at 760 mmHg
Flash Point: 199.4 °C
PSA: 65.21000
LogP: 2.88330
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Specification

The 6-Quinolinecarboxylicacid, 4-amino-2-methyl-, ethyl ester, with the CAS registry number 100795-25-3, is also known as 4-Amino-2-methyl-quinoline-6-carboxylic acid ethyl ester. It belongs to the product categories of Quinolines; Quinoline. This chemical's molecular formula is C13H14N2O2 and molecular weight is 230.2625. What's more, its systematic name is Ethyl 4-amino-2-methylquinoline-6-carboxylate.

Physical properties about 6-Quinolinecarboxylicacid, 4-amino-2-methyl-, ethyl ester are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.28; (7)ACD/KOC (pH 5.5): 2.67; (8)ACD/KOC (pH 7.4): 46.44; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.631 ; (14)Molar Refractivity: 67.65 cm3; (15)Molar Volume: 189.7 cm3; (16)Polarizability: 26.82×10-24 cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.213 g/cm3; (19)Flash Point: 199.4 °C ; (20)Enthalpy of Vaporization: 65.77 kJ/mol; (21)Boiling Point: 406.1 °C at 760 mmHg; (22)Vapour Pressure: 8.36E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1ccc2nc(cc(c2c1)N)C
(2) InChI: InChI=1/C13H14N2O2/c1-3-17-13(16)9-4-5-12-10(7-9)11(14)6-8(2)15-12/h4-7H,3H2,1-2H3,(H2,14,15)
(3) InChIKey: COTZCHZLPFDMPA-UHFFFAOYAS