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| CAS No.: | 514854-12-7 |
|---|---|
| Name: | 2,4-Pyrimidinediamine, 6-ethyl- |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H10N4 |
| Molecular Weight: | 138.172 |
| Synonyms: | 6-Ethylpyrimidine-2,4-diamine;2,4-pyrimidinediamine, 6-ethyl-;2-amino-6-ethylpyrimidin-4-ylamine;6-Ethyl-2,4-Pyrimidinediamine; |
| Density: | 1.22 g/cm3 |
| Melting Point: | 160-161oC |
| Boiling Point: | 383.476 °C at 760 mmHg |
| Flash Point: | 213.915 °C |
| PSA: | 77.82000 |
| LogP: | 1.36580 |
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Specification
The 2,4-Pyrimidinediamine,6-ethyl-, with the CAS registry number 514854-12-7, has the systematic name of 6-ethylpyrimidine-2,4-diamine. It belongs to the product category of Pyrimidine. And the molecular formula of the chemical is C6H10N4.
The characteristics of 2,4-Pyrimidinediamine,6-ethyl- are as followings: (1)ACD/LogP: 0.27; (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): 1; (6)ACD/KOC (pH 7.4): 9.539; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 77.82 Å2; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 40.457 cm3; (13)Molar Volume: 113.259 cm3; (14)Polarizability: 16.038×10-24cm3; (15)Surface Tension: 66.833 dyne/cm; (16)Density: 1.22 g/cm3; (17)Flash Point: 213.915 °C; (18)Enthalpy of Vaporization: 63.202 kJ/mol; (19)Boiling Point: 383.476 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCc1cc(nc(n1)N)N
(2)InChI: InChI=1/C6H10N4/c1-2-4-3-5(7)10-6(8)9-4/h3H,2H2,1H3,(H4,7,8,9,10)
(3)InChIKey: FVSSMWRJBRKTOY-UHFFFAOYAO