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| CAS No.: | 68132-83-2 |
|---|---|
| Name: | 2-imidazol-1-ylpropan-1-ol |
| Molecular Structure: | |
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| Formula: | C6H10N2O |
| Molecular Weight: | 126.16 |
| Synonyms: | 1H-Imidazole-1-ethanol, alpha(or beta)-methyl-;alpha(Or beta)-methyl-1H-imidazole-1-ethanol; |
| Density: | 1.12 g/cm3 |
| Boiling Point: | 289.9 °C at 760 mmHg |
| Flash Point: | 129.1 °C |
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Specification
This chemical is called 2-Imidazol-1-ylpropan-1-ol, and its systematic name is 2-(1H-imidazol-1-yl)propan-1-ol. With the molecular formula of C6H10N2O, its molecular weight is 126.16. The CAS registry number of the chemical is 68132-83-2.
Other characteristics of 2-Imidazol-1-ylpropan-1-ol can be summarised as followings: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.78; (4)ACD/LogD (pH 7.4): -0.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 11.72; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 35.32 cm3; (15)Molar Volume: 112.2 cm3; (16)Polarizability: 14×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 129.1 °C; (20)Enthalpy of Vaporization: 55.9 kJ/mol; (21)Boiling Point: 289.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000984 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OCC(n1ccnc1)C
2.InChI: InChI=1/C6H10N2O/c1-6(4-9)8-3-2-7-5-8/h2-3,5-6,9H,4H2,1H3
3.InChIKey: ZEMKCDHZMTZUKJ-UHFFFAOYAG
4.Std. InChI: InChI=1S/C6H10N2O/c1-6(4-9)8-3-2-7-5-8/h2-3,5-6,9H,4H2,1H3
5.Std. InChIKey: ZEMKCDHZMTZUKJ-UHFFFAOYSA-N