4-Quinolinecarboxylicacid, 2-(1-methylethyl)- supplier

Name
2-ISOPROPYLQUINOLINE-4-CARBOXYLIC ACID
EINECS
CAS No. 306749-60-0
Article Data2
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃NO₂
Boiling Point 347.4 °C at 760 mmHg
Molecular Weight 215.252
Flash Point 163.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Isopropylquinoline-4-carboxylic acid;
PSA 50.19000
LogP 3.05640

4-Quinolinecarboxylicacid, 2-(1-methylethyl)- Specification

The 4-Quinolinecarboxylicacid, 2-(1-methylethyl)-, with the CAS registry number 306749-60-0, is also known as 2-Isopropylquinoline-4-carboxylic acid. This chemical's molecular formula is C₁₃H₁₃NO₂ and molecular weight is 215.25. What's more, its IUPAC name is 2-(1-Methylethyl)quinoline-4-carboxylic acid.

Physical properties about 4-Quinolinecarboxylicacid, 2-(1-methylethyl)- are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.75; (8)ACD/KOC (pH 7.4): 1.31; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 63.3 cm³; (15)Molar Volume: 179.3 cm³; (16)Polarizability: 25.09×10^-24 cm³; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 163.9 °C; (20)Enthalpy of Vaporization: 62.45 kJ/mol; (21)Boiling Point: 347.4 °C at 760 mmHg; (22)Vapour Pressure: 2.03E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c2ccccc2nc(c1)C(C)C
(2) InChI: InChI=1/C13H13NO2/c1-8(2)12-7-10(13(15)16)9-5-3-4-6-11(9)14-12/h3-8H,1-2H3,(H,15,16)
(3) InChIKey: ZHQZYLFXDJYBGO-UHFFFAOYAO

Product Name

2-ISOPROPYLQUINOLINE-4-CARBOXYLIC ACID

4-Quinolinecarboxylicacid, 2-(1-methylethyl)- Specification

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