Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 6   > 6-Quinolinecarboxylicacid, 2-methyl-
14866-34-3 structure

6-Quinolinecarboxylicacid, 2-methyl-

Iupac Name:tetradodecylazanium bromide
CAS No.:14866-34-3
Molecular Weight:771.2183
Molecular Formula:C10H10N2O2S (isomer)
Properties
Density
1.714
Melting Point
87-90 °C
Boiling Point
504.5°C at 760 mmHg
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26
Specification

The 2-Methyl-6-quinolinecarboxylic acid with cas registry number of 635-80-3 is also known as Quinaldine-6-carboxylic acid. It belongs to the following categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Quinolines, Isoquinolines & Quinoxalines; Heterocyclic Compounds. This chemical also has a systematic name which is called 2-methylquinoline-6-carboxylic acid.

The physical properties about this chemical are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.89; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.663; (13)Molar Refractivity: 53.94 cm3; (14)Molar Volume: 145.5 cm3; (15)Surface Tension: 59.9 dyne/cm; (16)Density: 1.285 g/cm3; (17)Flash Point: 164 °C; (18)Enthalpy of Vaporization: 62.46 kJ/mol; (19)Boiling Point: 347.6 °C at 760 mmHg; (20)Vapour Pressure: 2.01E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. And it is also harmful if swallowed. Therefore, it is better to wear suitable protective clothing, gloves and eye/face protection during using it. And do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc2nc(ccc2c1)C;
(2)InChI: InChI=1/C11H9NO2/c1-7-2-3-8-6-9(11(13)14)4-5-10(8)12-7/h2-6H,1H3,(H,13,14);
(3)InChIKey: IZONZQFTYGVOOO-UHFFFAOYAH

Computational chemical data
  • Molecular Weight:771.2183g/mol
  • Molecular Formula:C10H10N2O2S
  • Exact Mass:769.703915
  • Monoisotopic Mass:769.703915
  • Complexity:468
  • Rotatable Bond Count:44
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0
  • Heavy Atom Count:50
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
Recommended Suppliers
  • Tel:+47-(73)-87 44 90
  • Fax:+47-(73)-87 44 99
 
<