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CAS No.: | 3724-26-3 |
---|---|
Name: | (1H-IMIDAZOL-2-YL)-METHANOL |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C4H6N2O |
Molecular Weight: | 98.1044 |
Synonyms: | 2-(Hydroxymethyl)imidazole;Imidazole-2-methanol(7CI,8CI); |
Density: | 1.311 g/cm3 |
Melting Point: | >160℃ (dec.) (methanol water ) |
Boiling Point: | 388.1 °C at 760 mmHg |
Flash Point: | 188.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 37/38-41 |
Safety: | 26-39 |
PSA: | 48.91000 |
LogP: | -0.09800 |
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The 1H-Imidazole-2-methanol, with the CAS registry number 3724-26-3, is also known as (1H-Imidazol-2-yl)-methanol. It belongs to the product categories of Pharmacetical; Hydroxymethyl's; Imidazoles & Benzimidazoles; Imidazoles & Benzimidazoles. This chemical's molecular formula is C4H6N2O and molecular weight is 98.1032. Its systematic name is called 1H-imidazol-2-ylmethanol.
Physical properties of 1H-Imidazole-2-methanol: (1)ACD/LogP: -1.17; (2)ACD/LogD (pH 5.5): -2.72; (3)ACD/LogD (pH 7.4): -1.34; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.71; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 25.22 cm3; (13)Molar Volume: 74.7 cm3; (14)Surface Tension: 67.7 dyne/cm; (15)Density: 1.311 g/cm3; (16)Flash Point: 188.5 °C; (17)Enthalpy of Vaporization: 67.21 kJ/mol; (18)Boiling Point: 388.1 °C at 760 mmHg; (19)Vapour Pressure: 1.02E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1nccn1
(2)InChI: InChI=1/C4H6N2O/c7-3-4-5-1-2-6-4/h1-2,7H,3H2,(H,5,6)
(3)InChIKey: ZOMATQMEHRJKLO-UHFFFAOYAV