2,6,8-trimethylquinoline-4-carboxylate supplier

Name
2,6,8-TRIMETHYL-QUINOLINE-4-CARBOXYLIC ACID
EINECS
CAS No. 93189-20-9
Density g/cm³
Solubility
Melting Point
Formula C₁₃H₁₂NO₂^-
Boiling Point 372 °C at 760 mmHg
Molecular Weight 215.25
Flash Point 178.8 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
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)
PSA 50.19000
LogP 2.85820

2,6,8-trimethylquinoline-4-carboxylate 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

Product Name

2,6,8-TRIMETHYL-QUINOLINE-4-CARBOXYLIC ACID

2,6,8-trimethylquinoline-4-carboxylate Specification

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