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CAS No.: | 30162-42-6 |
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Name: | N-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]pyridin-3-amine |
Molecular Structure: | |
Formula: | C13H10N4S |
Molecular Weight: | 254.315 |
Synonyms: | 2-(3-Pyridyl)amino-4-(3-pyridyl)thiazole;Pyridin-3-yl-(4-pyridin-3-yl-thiazol-2-yl)-amine; |
Density: | 1.339 g/cm3 |
Boiling Point: | 476.2 °C at 760 mmHg |
Flash Point: | 241.8 °C |
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The 3-Pyridinamine,N-[4-(3-pyridinyl)-2-thiazolyl]-, with the CAS registry number 30162-42-6, is also known as 2-(3-Pyridyl)amino-4-(3-pyridyl)thiazole and Pyridin-3-yl-(4-pyridin-3-yl-thiazol-2-yl)-amine. This chemical's molecular formula is C13H10N4S and molecular weight is 254.3103. What's more, its systematic name is called N-[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]pyridin-3-amine.
Physical properties about 3-Pyridinamine,N-[4-(3-pyridinyl)-2-thiazolyl]- are: (1)ACD/LogP: 1.28; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 4.8; (6)ACD/BCF (pH 7.4): 5.5; (7)ACD/KOC (pH 5.5): 102.93; (8)ACD/KOC (pH 7.4): 117.78; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 70.15 Å2; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 72.87 cm3; (15)Molar Volume: 189.9 cm3; (16)Polarizability: 28.89×10-24 cm3; (17)Surface Tension: 65.1 dyne/cm; (18)Density: 1.339 g/cm3; (19)Flash Point: 241.8 °C; (20)Enthalpy of Vaporization: 73.98 kJ/mol; (21)Boiling Point: 476.2 °C at 760 mmHg; (22)Vapour Pressure: 3.12E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n3cc(Nc1nc(cs1)c2cccnc2)ccc3
(2) InChI: InChI=1/C13H10N4S/c1-3-10(7-14-5-1)12-9-18-13(17-12)16-11-4-2-6-15-8-11/h1-9H,(H,16,17)
(3) InChIKey: XYSYDZGXMGECOQ-UHFFFAOYAT