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| CAS No.: | 5851-49-0 |
|---|---|
| Name: | 2-HEPTYLBENZIMIDAZOLE |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C14H20N2 |
| Molecular Weight: | 216.326 |
| Synonyms: | Benzimidazole,2-heptyl- (7CI,8CI);2-Heptyl-1H-benzimidazole;2-Heptylbenzimidazole;2-n-Heptylbenzimidazole; |
| EINECS: | 1308068-626-2 |
| Density: | 1.027 g/cm3 |
| Boiling Point: | 392.2 °C at 760 mmHg |
| Flash Point: | 193 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 28.68000 |
| LogP: | 4.07580 |
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Specification
The 2-Heptylbenzimidazole with the CAS number 5851-49-0 is also called 1H-Benzimidazole,2-heptyl-. The systematic name is 2-heptyl-1H-benzimidazole. Its molecular formula is C14H20N2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 2-Heptylbenzimidazole are: (1)ACD/LogP: 4.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 4.7; (5)ACD/BCF (pH 5.5): 201.48; (6)ACD/BCF (pH 7.4): 2140.6; (7)ACD/KOC (pH 5.5): 762.94; (8)ACD/KOC (pH 7.4): 8105.83; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 69.33 cm3; (15)Molar Volume: 210.4 cm3; (16)Polarizability: 27.48×10-24cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Enthalpy of Vaporization: 61.68 kJ/mol; (19)Vapour Pressure: 5.28×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c1ccccc1nc2CCCCCCC
(2)InChI: InChI=1/C14H20N2/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3,(H,15,16)
(3)InChIKey: RJRKURJUHLRUPD-UHFFFAOYAV