4(1H)-Quinolinone,6-(1,1-dimethylethyl)- supplier

Name
6-tert-Butyl-quinolin-4-ol
EINECS
CAS No. 444609-92-1
Article Data1
CAS DataBase
Density 1.066 g/cm³
Solubility
Melting Point 290-297℃
Formula C₁₃H₁₅NO
Boiling Point 308.404 °C at 760 mmHg
Molecular Weight 201.268
Flash Point 118.641 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-tert-Butyl-quinolin-4-ol;
PSA 33.12000
LogP 3.23790

4(1H)-Quinolinone,6-(1,1-dimethylethyl)- Specification

The 4(1H)-Quinolinone, 6-(1, 1-dimethylethyl)-, with the CAS registry number of 444609-92-1, is also known as 6-tert-Butyl-quinolin-4-ol. This chemical's molecular formula is C₁₃H₁₅NO and molecular weight is 201.2643. What's more, its systematic name is called 6-tert-Butylquinolin-4(1H)-one.

Physical properties about 4(1H)-Quinolinone, 6-(1, 1-dimethylethyl)- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 893; (6)ACD/BCF (pH 7.4): 894; (7)ACD/KOC (pH 5.5): 4504; (8)ACD/KOC (pH 7.4): 4510; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 59.897 cm³; (15)Molar Volume: 188.774 cm³; (16)Surface Tension: 37.877 dyne/cm; (17)Density: 1.066 g/cm³; (18)Flash Point: 118.641 °C; (19)Enthalpy of Vaporization: 54.908 kJ/mol; (20)Boiling Point: 308.404 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)c1ccc2N\C=C/C(=O)c2c1
(2) InChI: InChI=1/C13H15NO/c1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11/h4-8H,1-3H3,(H,14,15)
(3) InChIKey: SBXZPWYHJMOZGN-UHFFFAOYAX

Product Name

6-tert-Butyl-quinolin-4-ol

4(1H)-Quinolinone,6-(1,1-dimethylethyl)- Specification

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