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4(1H)-Pyrimidinone,6-fluoro-2-(methylamino)-

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  • Name 4(1H)-Pyrimidinone,6-fluoro-2-(methylamino)-
  • EINECSN/A
  • CAS No. 313961-68-1
  • Density1.46 g/cm3
  • PSA57.78000
  • LogP0.02370
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC5H6FN3O
  • Boiling Point184.6 °C at 760 mmHg
  • Molecular Weight143.1190432
  • Flash Point65.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 313961-68-1 (6-FLUORO-2-(METHYLAMINO)-4(1H)-PYRIMIDINONE)
  • Hazard SymbolsN/A
  • SynonymsN/A

4(1H)-Pyrimidinone,6-fluoro-2-(methylamino)- Specification

The 4(1H)-Pyrimidinone,6-fluoro-2-(methylamino)-, with the CAS registry number 313961-68-1, is also known as 6-Fluoro-2-(methylamino)-4(1H)-pyrimidinone. It belongs to the product categories of Pyrimidine; Halide; Alcohol. This chemical's molecular formula is C5H6FN3O and molecular weight is 143.1190432. What's more, its systematic name is called 6-Fluoro-2-(methylamino)pyrimidin-4(1H)-one.

Physical properties about 4(1H)-Pyrimidinone,6-fluoro-2-(methylamino)- are: (1)ACD/LogP: -1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.58; (6)ACD/KOC (pH 7.4): 4.55; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 35.91 Å2; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 32.73 cm3; (13)Molar Volume: 97.7 cm3; (14)Surface Tension: 42.8 dyne/cm; (15)Density: 1.46 g/cm3; (16)Flash Point: 65.5 °C; (17)Enthalpy of Vaporization: 42.09 kJ/mol; (18)Boiling Point: 184.6 °C at 760 mmHg; (19)Vapour Pressure: 0.726 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC=1NC(=N/C(=O)C=1)\NC
(2) InChI: InChI=1/C5H6FN3O/c1-7-5-8-3(6)2-4(10)9-5/h2H,1H3,(H2,7,8,9,10)
(3) InChIKey: KLYLSYMCPGBNPS-UHFFFAOYAH

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