CAS No.80554-58-1,schinifoline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80554-58-1
Name:	schinifoline
Article Data:	3

Formula:	C₁₇H₂₃NO
Molecular Weight:	257.3706
Synonyms:	1-Methyl-2-heptyl-4(1H)-quinolinone;4(1H)-Quinolinone,2-heptyl-1-methyl-;Schinifoline;Schinifoline (C17 alkaloid);2-heptyl-1-methyl-quinolin-4-one;
Density:	1.008 g/cm³
Melting Point:	82-83 °C
Boiling Point:	362.6 °C at 760 mmHg
Flash Point:	124 °C
PSA:	22.00000
LogP:	4.05140

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Specification

The 4(1H)-Quinolinone, 2-heptyl-1-methyl-, with the CAS registry number 80554-58-1, is also known as Schinifoline. This chemical's molecular formula is C₁₇H₂₃NO and molecular weight is 257.3706. What's more, its IUPAC name is 2-Heptyl-1-methylquinolin-4-one.

Physical properties about 4(1H)-Quinolinone, 2-heptyl-1-methyl-: (1)ACD/LogP: 5.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.03; (4)ACD/LogD (pH 7.4): 5.03; (5)ACD/BCF (pH 5.5): 3926.09; (6)ACD/BCF (pH 7.4): 3930.83; (7)ACD/KOC (pH 5.5): 13001.71; (8)ACD/KOC (pH 7.4): 13017.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 78.92 cm³; (15)Molar Volume: 255.2 cm³; (16)Surface Tension: 36.7 dyne/cm; (17)Density: 1.008 g/cm³; (18)Flash Point: 124 °C; (19)Enthalpy of Vaporization: 60.86 kJ/mol; (20)Boiling Point: 362.6 °C at 760 mmHg; (21)Vapour Pressure: 1.91E-05 mmHg at 25 °C.

Preparation of 4(1H)-Quinolinone, 2-heptyl-1-methyl-: It can be obtained by Iodomethane and 2-Heptyl-1H-quinolin-4-one. The reaction occurs with reagent Potassium carbonate and solvent Dimethylformamide at ambient temperature for 2 days. The yield is 54%.

4(1H)-Quinolinone, 2-heptyl-1-methyl- can be obtained by Iodomethane and 2-Heptyl-1H-quinolin-4-one

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\2c1c(cccc1)N(/C(=C/2)CCCCCCC)C
(2) InChI: InChI=1/C17H23NO/c1-3-4-5-6-7-10-14-13-17(19)15-11-8-9-12-16(15)18(14)2/h8-9,11-13H,3-7,10H2,1-2H3
(3) InChIKey: HCUSLQJBGQJQCB-UHFFFAOYAB