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| CAS No.: | 42310-45-2 |
|---|---|
| Name: | 2,4-Diamino-5-pyrimidinemethanol |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C5H8N4O |
| Molecular Weight: | 140.145 |
| Synonyms: | 2,4-Diamino-5-(hydroxymethyl)pyrimidine;2,4-Diamino-5-pyrimidinemethanol;5-Hydroxymethyl-2,4-pyrimidinediamine;NSC165500; |
| Density: | 1.486 g/cm3 |
| Boiling Point: | 502 °C at 760 mmHg |
| Flash Point: | 257.4 °C |
| PSA: | 98.05000 |
| LogP: | 0.29570 |
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- Total:24 Page 1 of 1 1
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Specification
The 2,4-Diamino-5-pyrimidinemethanol, with the CAS registry number 42310-45-2, is also known as 5-Pyrimidinemethanol, 2,4-diamino-. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C5H8N4O and molecular weight is 140.14. Its IUPAC name is called (2,4-diaminopyrimidin-5-yl)methanol.
Physical properties of 2,4-Diamino-5-pyrimidinemethanol: (1)ACD/LogP: -1.82; (2)# of Rule of 5 Violations: 1; (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): 1.87; (7)#H bond acceptors: 5; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.723; (11)Molar Refractivity: 37.35 cm3; (12)Molar Volume: 94.2 cm3; (13)Surface Tension: 103.6 dyne/cm; (14)Density: 1.486 g/cm3; (15)Flash Point: 257.4 °C; (16)Enthalpy of Vaporization: 81.18 kJ/mol; (17)Boiling Point: 502 °C at 760 mmHg; (18)Vapour Pressure: 6.75E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=NC(=N1)N)N)CO
(2)InChI: InChI=1S/C5H8N4O/c6-4-3(2-10)1-8-5(7)9-4/h1,10H,2H2,(H4,6,7,8,9)
(3)InChIKey: MMDZZHAZMNJFMW-UHFFFAOYSA-N