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CAS No.: | 56621-95-5 |
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Name: | 5-AMINO-2-FLUOROPYRIMIDINE |
Molecular Structure: | |
Formula: | C4H4FN3 |
Molecular Weight: | 113.094 |
Synonyms: | 2-Fluoro-5-pyrimidinamine;2-fluoropyrimidin-5-amine; |
Density: | 1.373 g/cm3 |
Melting Point: | 178-179 °C(Solv: benzene (71-43-2)) |
Boiling Point: | 324.93 °C at 760 mmHg |
Flash Point: | 150.312 °C |
PSA: | 51.80000 |
LogP: | 0.77910 |
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The CAS register number of 5-Pyrimidinamine,2-fluoro- is 56621-95-5. It also can be called as 2-Fluoro-5-pyrimidinamine and the systematic name about this chemical is 2-fluoropyrimidin-5-amine. The molecular formula about this chemical is C4H4FN3 and the molecular weight is 113.09. It belongs to the Pyrimidine.
Physical properties about 5-Pyrimidinamine,2-fluoro- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 15.638; (4)ACD/KOC (pH 7.4): 15.639; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 51.8Å2; (9)Index of Refraction: 1.561; (10)Molar Refractivity: 26.665 cm3; (11)Molar Volume: 82.371 cm3; (12)Polarizability: 10.571x10-24cm3; (13)Surface Tension: 59.247 dyne/cm; (14)Flash Point: 150.312 °C; (15)Enthalpy of Vaporization: 56.7 kJ/mol; (16)Boiling Point: 324.93 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(n1)F)N
(2)InChI: InChI=1/C4H4FN3/c5-4-7-1-3(6)2-8-4/h1-2H,6H2
(3)InChIKey: LWQRIXAJNVYZEX-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H4FN3/c5-4-7-1-3(6)2-8-4/h1-2H,6H2
(5)Std. InChIKey: LWQRIXAJNVYZEX-UHFFFAOYSA-N