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CAS No.: | 62306-08-5 |
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Name: | 1-Ethyl-2-methyl-5-cyanobenzimidazole |
Molecular Structure: | |
Formula: | C11H11N3 |
Molecular Weight: | 185.228 |
Synonyms: | 5-Cyano-1-ethyl-2-methylbenzimidazole;1H-benzimidazole-5-carbonitrile, 1-ethyl-2-methyl-; |
Density: | 1.13 g/cm3 |
Melting Point: | 162 °C |
Boiling Point: | 381.1 °C at 760 mmHg |
Flash Point: | 184.3 °C |
PSA: | 41.61000 |
LogP: | 2.23628 |
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The CAS register number of 1-Ethyl-2-methyl-5-cyanobenzimidazole is 62306-08-5. It also can be called as 1H-benzimidazole-5-carbonitrile, 1-ethyl-2-methyl- and the systematic name about this chemical is 1-ethyl-2-methyl-1H-benzimidazole-5-carbonitrile. The molecular formula about this chemical is C11H11N3 and the molecular weight is 185.22. It belongs to the Benzimidazole.
Physical properties about 1-Ethyl-2-methyl-5-cyanobenzimidazole are: (1)ACD/LogP: 1.96; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 41.61Å2; (5)Index of Refraction: 1.611; (6)Molar Refractivity: 56.69 cm3; (7)Molar Volume: 163.1 cm3; (8)Polarizability: 22.47x10-24cm3; (9)Surface Tension: 42 dyne/cm; (10)Enthalpy of Vaporization: 62.94 kJ/mol; (11)Boiling Point: 381.1 °C at 760 mmHg; (12)Vapour Pressure: 5.18E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc1c(nc(n1CC)C)c2
(2)InChI: InChI=1/C11H11N3/c1-3-14-8(2)13-10-6-9(7-12)4-5-11(10)14/h4-6H,3H2,1-2H3
(3)InChIKey: CRSLXELXHYBDGN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H11N3/c1-3-14-8(2)13-10-6-9(7-12)4-5-11(10)14/h4-6H,3H2,1-2H3
(5)Std. InChIKey: CRSLXELXHYBDGN-UHFFFAOYSA-N