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| CAS No.: | 51505-76-1 |
|---|---|
| Name: | 1H-IMIDAZOL-1-YLMETHANOL |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C4H6N2O |
| Molecular Weight: | 98.1044 |
| Synonyms: | 1-Hydroxymethylimidazole;N-Hydroxymethylimidazole; |
| Density: | 1.21 g/cm3 |
| Melting Point: | 134℃ |
| Boiling Point: | 307.7 °C at 760 mmHg |
| Flash Point: | 139.9 °C |
| PSA: | 38.05000 |
| LogP: | -0.16710 |
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- Total:25 Page 1 of 1 1
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Specification
The CAS register number of 1H-Imidazole-1-methanol is 51505-76-1. It also can be called as 1-Hydroxymethylimidazole and the IUPAC name about this chemical is imidazol-1-ylmethanol. The molecular formula about this chemical is C4H6N2O and the molecular weight is 98.1032. It belongs to the following product categories which include Imidazol & Benzimidazole and so on.
Physical properties about 1H-Imidazole-1-methanol are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 4.08; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 27.05 Å2; (9)Index of Refraction: 1.564; (10)Molar Refractivity: 26.28 cm3; (11)Molar Volume: 80.7 cm3; (12)Polarizability: 10.42x10-24cm3; (13)Surface Tension: 49 dyne/cm; (14)Density: 1.21 g/cm3; (15)Flash Point: 139.9 °C; (16)Enthalpy of Vaporization: 57.89 kJ/mol; (17)Boiling Point: 307.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00031 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCn1ccnc1
(2)InChI: InChI=1/C4H6N2O/c7-4-6-2-1-5-3-6/h1-3,7H,4H2
(3)InChIKey: XPPVBKJELBDMMR-UHFFFAOYAP