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Molecular Structure of 6-(Trifluoromethyl)pyrimidin-4-amine (CAS NO.672-41-3):
Systematic Name: 6-(Trifluoromethyl)pyrimidin-4-amine
Molecular Formula: C5H4F3N3
Molecular Weight: 163.10
Mol File: 672-41-3.mol
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 0
Index of Refraction: 1.479
Molar Refractivity: 31.651 cm3
Molar Volume: 111.672 cm3
Surface Tension: 38.745 dyne/cm
Density: 1.461 g/cm3
Flash Point: 94.06 °C
Enthalpy of Vaporization: 46.859 kJ/mol
Boiling Point: 231.916 °C at 760 mmHg
Vapour Pressure: 0.061 mmHg at 25 °C
SMILES: Nc1cc(ncn1)C(F)(F)F
InChI: InChI=1/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11)
InChIKey: FIAIKJQZLXLGCR-UHFFFAOYAW
6-(Trifluoromethyl)pyrimidin-4-amine (CAS NO.672-41-3), its Synonyms are 6-Trifluoromethylpyrimidin-4-ylamine ; 4-Pyrimidinamine,6-(trifluoromethyl)- ; Pyrimidine,4-amino-6-(trifluoromethyl)- (6CI,8CI) ; 4-Amino-6-(trifluoromethyl)pyrimidine .