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| CAS No.: | 45533-87-7 |
|---|---|
| Name: | 4-(Hydroxymethyl)-2-methyl-1H-imidazole |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C5H8N2O |
| Molecular Weight: | 112.131 |
| Synonyms: | 1H-Imidazole-4-methanol,2-methyl- (9CI);Imidazole-4(or 5)-methanol, 2-methyl- (6CI);2-Methyl-4-(hydroxymethyl)imidazole;2-Methyl-4-imidazolemethanol;4-(Hydroxymethyl)-2-methylimidazole; |
| Density: | 1.231g/cm3 |
| Melting Point: | 120-122 |
| Boiling Point: | 392.5 °C at 760 mmHg |
| Flash Point: | 191.1 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 48.91000 |
| LogP: | 0.21040 |
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- Total:29 Page 1 of 1 1
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Specification
This chemical is called 1H-Imidazole-5-methanol,2-methyl-, and it can also be (2-methyl-1H-imidazol-5-yl)methanol. With the molecular formula of C5H8N2O, its molecular weight is 112.13. The CAS registry number of this chemical is 45533-87-7.
Other characteristics of the 1H-Imidazole-5-methanol,2-methyl- can be summarised as followings: (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): 1.53; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 27.05 Å2; (9)Index of Refraction: 1.574; (10)Molar Refractivity: 30.05 cm3; (11)Molar Volume: 91 cm3; (12)Polarizability: 11.91×10-24cm3; (13)Surface Tension: 58.8 dyne/cm; (14)Density: 1.231 g/cm3; (15)Flash Point: 191.1 °C; (16)Enthalpy of Vaporization: 67.73 kJ/mol; (17)Boiling Point: 392.5 °C at 760 mmHg; (18)Vapour Pressure: 7.3E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OCc1cnc(n1)C
2.InChI: InChI=1/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3,(H,6,7)
3.InChIKey: MQRMTENGXFRETM-UHFFFAOYAY