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| CAS No.: | 84547-62-6 |
|---|---|
| Name: | (1-Methyl-1H-pyrazol-3-yl)methanol |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C5H8N2O |
| Molecular Weight: | 112.131 |
| Synonyms: | 1-Methyl-3-pyrazolemethanol;1-Methyl-3-hydroxymethylpyrazole;(1-Methyl-1H-pyrazol-3-yl)methanol; |
| Density: | 1.167 g/cm3 |
| Boiling Point: | 243.569 °C at 760 mmHg |
| Flash Point: | 101.107 °C |
| PSA: | 38.05000 |
| LogP: | -0.08760 |
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- Total:35 Page 1 of 1 1
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Specification
The 1H-Pyrazole-3-methanol,1-methyl-, with the CAS registry number 84547-62-6, is also known as 1-Methyl-3-hydroxymethylpyrazole. It belongs to the product categories of Building Blocks; Pyrazole. This chemical's molecular formula is C5H8N2O and molecular weight is 112.13. What's more, its systematic name is (1-methyl-1H-pyrazol-3-yl)methanol.
Physical properties of 1H-Pyrazole-3-methanol,1-methyl- are: (1)ACD/LogP: -1.43; (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): 7; (6)ACD/KOC (pH 7.4): 7; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.05 Å2; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 30.711 cm3; (13)Molar Volume: 96.06 cm3; (14)Polarizability: 12.175×10-24cm3; (15)Surface Tension: 42.057 dyne/cm; (16)Density: 1.167 g/cm3; (17)Flash Point: 101.107 °C; (18)Enthalpy of Vaporization: 50.785 kJ/mol; (19)Boiling Point: 243.569 °C at 760 mmHg; (20)Vapour Pressure: 0.017 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ccn(C)n1
(2)InChI: InChI=1S/C5H8N2O/c1-7-3-2-5(4-8)6-7/h2-3,8H,4H2,1H3
(3)InChIKey: WCKJRVKJTUIAFW-UHFFFAOYSA-N