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CAS No.: | 46227-74-1 |
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Name: | 2-ETHYL-4-METHYLIMIDAZOLE |
Molecular Structure: | |
Formula: | C6H10N2 |
Molecular Weight: | 110.16 |
Synonyms: | 2-Ethyl-5-methyl-1H-imidazole; |
EINECS: | 213-234-5 |
Density: | 1 g/cm3 |
Melting Point: | 47-54 °C (lit.) |
Boiling Point: | 276 °C at 760 mmHg |
Flash Point: | 137.8 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 28.68000 |
LogP: | 1.28050 |
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The 1H-Imidazole, 2-ethyl-5-methyl-, with the CAS registry number of 46227-74-1, is also known as 2-Ethyl-4-methylimidazole. Its EINECS registry number is 213-234-5. This chemical's molecular formula is C6H10N2 and molecular weight is 110.16. What's more, its systematic name is called 2-Ethyl-5-methyl-1H-imidazole.
Physical properties about 1H-Imidazole, 2-ethyl-5-methyl- are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.8; (4)ACD/LogD (pH 7.4): -0.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 7.4): 2.5; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.82 Å2; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 33.15 cm3; (14)Molar Volume: 110 cm3; (15)Surface Tension: 39.1 dyne/cm; (16)Density: 1 g/cm3; (17)Flash Point: 137.8 °C; (18)Enthalpy of Vaporization: 49.38 kJ/mol; (19)Boiling Point: 276 °C at 760 mmHg; (20)Vapour Pressure: 0.00827 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful if swallowed. In addition, this chemical has risk of serious damage to eyes. During using it, wear eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: n1cc(nc1CC)C
(2) InChI: InChI=1/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
(3) InChIKey: ULKLGIFJWFIQFF-UHFFFAOYAC