CAS No.624734-26-5,tert-butyl 3-(trifluoroMethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	624734-26-5
Name:	tert-butyl 3-(trifluoroMethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
Article Data:	14

Formula:	C₁₄H₁₇F₃N₂O₂
Molecular Weight:	302.29
Synonyms:	tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate;
Density:	1.3±0.1 g/cm³
Boiling Point:	342.4±42.0 °C at 760 mmHg
Flash Point:	160.9±27.9 °C
PSA:	42.43000
LogP:	3.33150

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Specification

The 2-Methyl-2-propanyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate, with the CAS registry number 624734-26-5, is also known as tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate. This chemical's molecular formula is C₁₄H₁₇F₃N₂O₂ and molecular weight is 302.29. What's more, its systematic name is 2-Methyl-2-propanyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate.

Physical properties of 2-Methyl-2-propanyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate are: (1)ACD/LogP: 2.42±0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.78; (6)ACD/BCF (pH 7.4): 40.88; (7)ACD/KOC (pH 5.5): 494.36; (8)ACD/KOC (pH 7.4): 495.57; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 69.9±0.3 cm³; (15)Molar Volume: 241.2±3.0 cm³; (16)Polarizability: 27.7±0.5×10^-24cm³; (17)Surface Tension: 37.9±3.0 dyne/cm; (18)Density: 1.3±0.1 g/cm³; (19)Flash Point: 160.9±27.9 °C; (20)Enthalpy of Vaporization: 58.6±3.0 kJ/mol; (21)Boiling Point: 342.4±42.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCc2c(cc(cn2)C(F)(F)F)C1
(2)Std. InChI: InChI=1S/C14H17F3N2O2/c1-13(2,3)21-12(20)19-5-4-11-9(8-19)6-10(7-18-11)14(15,16)17/h6-7H,4-5,8H2,1-3H3
(3)Std. InChIKey: MSYVHAWMHWYFEB-UHFFFAOYSA-N