Basic Information | Post buying leads | Suppliers |
Name |
2-Trifluoromethyl-4-aminopyrimidine |
EINECS | N/A |
CAS No. | 672-42-4 | Density | 1.46 g/cm3 |
PSA | 51.80000 | LogP | 1.65880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H4F3N3 | Boiling Point | 155.3 °C at 760 mmHg |
Molecular Weight | 163.102 | Flash Point | 47.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37-24/25 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(Trifluoromethyl)pyrimidin-4-amine;2-(Trifluoromethyl)-4-pyrimidinamine; 2-Trifluoromethylpyrimidin-4-ylamine;4-Pyrimidinamine, 2-(trifluoromethyl)-; |
The IUPAC name of 2-Trifluoromethyl-4-aminopyrimidine is 2-(trifluoromethyl)pyrimidin-4-amine. With the CAS registry number 672-42-4, it is also named as 4-Pyrimidinamine, 2-(trifluoromethyl)-. In addition, its molecular formula is C5H4F3N3 and molecular weight is 163.10.
The other characteristics of 2-Trifluoromethyl-4-aminopyrimidine can be summarized as: (1)ACD/LogP: -0.57; (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): 11.66; (6)ACD/KOC (pH 7.4): 11.68; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 29.02 Å2; (11)Index of Refraction: 1.478; (12)Molar Refractivity: 31.65 cm3; (13)Molar Volume: 111.6 cm3; (14)Polarizability: 12.54×10-24cm3; (15)Surface Tension: 38.7 dyne/cm; (16)Density: 1.46 g/cm3; (17)Flash Point: 47.7 °C; (18)Enthalpy of Vaporization: 39.2 kJ/mol; (19)Boiling Point: 155.3 °C at 760 mmHg; (20)Vapour Pressure: 3.05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1nc(N)ccn1
(2)InChI: InChI=1/C5H4F3N3/c6-5(7,8)4-10-2-1-3(9)11-4/h1-2H,(H2,9,10,11)
(3)InChIKey: XJHPDOAHPIXTPH-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H4F3N3/c6-5(7,8)4-10-2-1-3(9)11-4/h1-2H,(H2,9,10,11)
(5)Std. InChIKey: XJHPDOAHPIXTPH-UHFFFAOYSA-N