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| CAS No.: | 24903-72-8 |
|---|---|
| Name: | Pyrimidine, 4-ethoxy- (8CI,9CI) |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H8N2O |
| Molecular Weight: | 124.142 |
| Synonyms: | 4-Ethoxypyrimidine; |
| Density: | 1.067 g/cm3 |
| Boiling Point: | 199.616 °C at 760 mmHg |
| Flash Point: | 71.691 °C |
| PSA: | 35.01000 |
| LogP: | 0.87530 |
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- Total:3 Page 1 of 1 1
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Specification
The Pyrimidine, 4-ethoxy-, with the CAS registry number 24903-72-8, belongs to the product category of Pyrimidine. This chemical's molecular formula is C6H8N2O and molecular weight is 124.14. What's more, its systematic name is 4-Ethoxypyrimidine.
Physical properties about Pyrimidine, 4-ethoxy- are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 85; (8)ACD/KOC (pH 7.4): 86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 33.747 cm3; (15)Molar Volume: 116.39 cm3; (16)Polarizability: 13.378×10-24 cm3; (17)Surface Tension: 39.629 dyne/cm; (18)Density: 1.067 g/cm3; (19)Flash Point: 71.691 °C; (20)Enthalpy of Vaporization: 41.801 kJ/mol; (21)Boiling Point: 199.616 °C at 760 mmHg; (22)Vapour Pressure: 0.478 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOc1ccncn1
(2) InChI: InChI=1/C6H8N2O/c1-2-9-6-3-4-7-5-8-6/h3-5H,2H2,1H3
(3) InChIKey: UDVWSTBKKYWADN-UHFFFAOYAV