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3-Pyridinamine,N-[4-(4-pyridinyl)-2-thiazolyl]-

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  • Name 3-Pyridinamine,N-[4-(4-pyridinyl)-2-thiazolyl]-
  • EINECSN/A
  • CAS No. 30162-43-7
  • Density1.339 g/cm3
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC13H10N4S
  • Boiling Point462.9 °C at 760 mmHg
  • Molecular Weight254.315
  • Flash Point233.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 30162-43-7 (N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]pyridin-3-amine)
  • Hazard SymbolsN/A
  • SynonymsN/A

3-Pyridinamine,N-[4-(4-pyridinyl)-2-thiazolyl]- Specification

The 3-Pyridinamine,N-[4-(4-pyridinyl)-2-thiazolyl]-, with the CAS registry number 30162-43-7, is also known as Pyridin-3-yl-(4-pyridin-4-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-4-yl)-1,3-thiazol-2-yl]pyridin-3-amine.

Physical properties about 3-Pyridinamine,N-[4-(4-pyridinyl)-2-thiazolyl]- are: (1)ACD/LogP: 1.21; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 10.7; (6)ACD/BCF (pH 7.4): 12.27; (7)ACD/KOC (pH 5.5): 182.45; (8)ACD/KOC (pH 7.4): 209.32; (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: 233.7 °C; (20)Enthalpy of Vaporization: 72.4 kJ/mol; (21)Boiling Point: 462.9 °C at 760 mmHg; (22)Vapour Pressure: 9.54E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n3cc(Nc1nc(cs1)c2ccncc2)ccc3
(2) InChI: InChI=1/C13H10N4S/c1-2-11(8-15-5-1)16-13-17-12(9-18-13)10-3-6-14-7-4-10/h1-9H,(H,16,17)
(3) InChIKey: SQCNBGBUKCWMFH-UHFFFAOYAM

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