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848080-35-3

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Basic Information
CAS No.: 848080-35-3
Name: Methanesulfonamide, 1,1,1-trifluoro-N-[1,2,3,4-tetrahydro-1-(2-methylpropyl)-7-quinolinyl]-
Molecular Structure:
Molecular Structure of 848080-35-3 (Methanesulfonamide, 1,1,1-trifluoro-N-[1,2,3,4-tetrahydro-1-(2-methylpropyl)-7-quinolinyl]-)
Formula: C14H19F3N2O2S
Molecular Weight: 336.37
Synonyms: 1,1,1-Trifluoro-N-[1,2,3,4-tetrahydro-1-(2-methylpropyl)-7-quinolinyl]methanesulfonamide;
Density: 1.318 g/cm3
Boiling Point: 393.105 °C at 760 mmHg
Flash Point: 191.543 °C
PSA: 57.79000
LogP: 4.57550
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Specification

The cas register number of 1,1,1-Trifluoro-N-[1,2,3,4-tetrahydro-1-(2-methylpropyl)-7-quinolinyl]methanesulfonamide is 848080-35-3. It also can be called as Methanesulfonamide,1,1,1-trifluoro-N-[1,2,3,4-tetrahydro-1-(2-methylpropyl)-7-quinolinyl]- and the IUPAC Name about this chemical is 1,1,1-trifluoro-N-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide. It belongs to the API intermediates.

Physical properties about 1,1,1-Trifluoro-N-[1,2,3,4-tetrahydro-1-(2-methylpropyl)-7-quinolinyl]methanesulfonamide are: (1)ACD/LogP: 4.28; (2)ACD/LogD (pH 5.5): 3.45; (3)ACD/LogD (pH 7.4): 2.427; (4)ACD/BCF (pH 5.5): 155.926; (5)ACD/BCF (pH 7.4): 14.789; (6)ACD/KOC (pH 5.5): 750.956; (7)ACD/KOC (pH 7.4): 71.224; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 57.79Å2; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 78.435 cm3; (14)Molar Volume: 255.167 cm3; (15)Polarizability: 31.094x10-24cm3; (16)Surface Tension: 41.341 dyne/cm; (17)Enthalpy of Vaporization: 64.294 kJ/mol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CN1CCCC2=C1C=C(C=C2)NS(=O)(=O)C(F)(F)F
(2)InChI: InChI=1S/C14H19F3N2O2S/c1-10(2)9-19-7-3-4-11-5-6-12(8-13(11)19)18-22(20,21)14(15,16)17/h5-6,8,10,18H,3-4,7,9H2,1-2H3
(3)InChIKey: ITBCQMHROXPFES-UHFFFAOYSA-N