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| CAS No.: | 16731-68-3 |
|---|---|
| Name: | 1H-Imidazole,2-undecyl- |
| Article Data: | 5 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C14H26N2 |
| Molecular Weight: | 222.374 |
| Synonyms: | Imidazole,2-undecyl- (8CI);2-Undecyl-1H-imidazole;2-Undecylimidazole;C 11Z;CurezolC11Z;Curezol C11Z-PW;T 869;Thiolite T 869; |
| EINECS: | 240-796-9 |
| Density: | 0.917 g/cm3 |
| Melting Point: | 69-74 °C (dec.)(lit.) |
| Boiling Point: | 375 °C at 760 mmHg |
| Flash Point: | 172.1 °C |
| Solubility: | N/A |
| Appearance: | WHITE TO LIGHT YELLOW POWDER |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | N/A |
| PSA: | 28.68000 |
| LogP: | 4.48300 |
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This chemical is called 2-Undecyl-1H-imidazole, and it can also be named 1H-imidazole, 2-undecyl-. With the molecular formula of C14H26N2, its molecular weight is 222.37. The CAS registry number of this chemical is 16731-68-3.
Other characteristics of the 2-Undecyl-1H-imidazole can be summarised as followings: (1)ACD/LogP: 4.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 15.9; (6)ACD/BCF (pH 7.4): 382.42; (7)ACD/KOC (pH 5.5): 55.02; (8)ACD/KOC (pH 7.4): 1323.63; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 70.02 cm3; (15)Molar Volume: 242.3 cm3; (16)Polarizability: 27.75×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 0.917 g/cm3; (19)Flash Point: 172.1 °C; (20)Enthalpy of Vaporization: 59.81 kJ/mol; (21)Boiling Point: 375 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: n1ccnc1CCCCCCCCCCC
2.InChI: InChI=1/C14H26N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h12-13H,2-11H2,1H3,(H,15,16)
3.InChIKey: LLEASVZEQBICSN-UHFFFAOYAX
