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93189-20-9

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Basic Information
CAS No.: 93189-20-9
Name: 2,6,8-TRIMETHYL-QUINOLINE-4-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 93189-20-9 (2,6,8-TRIMETHYL-QUINOLINE-4-CARBOXYLIC ACID)
Formula: C13H12NO2-
Molecular Weight: 215.25
Synonyms: 2,6,8-TRIMETHYL-QUINOLINE-4-CARBOXYLIC ACID;CHEMBRDG-BB 4003466;TIMTEC-BB SBB011314;4-quinolinecarboxylic acid, 2,6,8-trimethyl-;2,6,8-trimethylquinoline-4-carboxylic acid(SALTDATA: 2.8NaCl)
Density: g/cm3
Boiling Point: 372 °C at 760 mmHg
Flash Point: 178.8 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 50.19000
LogP: 2.85820
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Specification

The 2,6,8-trimethylquinoline-4-carboxylate, with the CAS registry number 93189-20-9, is a kind of organics, and it should be stored in sealed containers, and should keep dry and cool at the same time. The molecular formula of the chemical is C13H12NO2-.

The characteristics of 2,6,8-trimethylquinoline-4-carboxylate are as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 50.19 Å2; (7)Flash Point: 178.8 °C; (8)Enthalpy of Vaporization: 65.31 kJ/mol; (9)Boiling Point: 372 °C at 760 mmHg; (10)Vapour Pressure: 3.42E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]C(=O)c1c2cc(cc(c2nc(c1)C)C)C
(2)InChI: InChI=1/C13H13NO2/c1-7-4-8(2)12-10(5-7)11(13(15)16)6-9(3)14-12/h4-6H,1-3H3,(H,15,16)/p-1
(3)InChIKey: AODVVXXIFHFAMN-REWHXWOFAK