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Name |
1H-Imidazole,2-(2-phenylethenyl)- |
EINECS | N/A |
CAS No. | 13682-34-3 | Density | 1.18g/cm3 |
PSA | 28.68000 | LogP | 2.58010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H10N2 | Boiling Point | 379.6 °C at 760 mmHg |
Molecular Weight | 170.214 | Flash Point | 202.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Imidazole,2-styryl- (7CI,8CI);NSC 525161; |
Article Data | 1 |
The 1H-Imidazole,2-(2-phenylethenyl)-, with CAS registry number 13682-34-3, has the systematic name of 2-[(Z)-styryl]-1H-imidazole. Besides this, it is also called 2-Styryl-1H-Imidazole. Its molecular weight is 170.2105. And the chemical formula of this chemical is C11H10N2.
Physical properties of 1H-Imidazole,2-(2-phenylethenyl)-: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 1.02; (6)ACD/BCF (pH 7.4): 18.62; (7)ACD/KOC (pH 5.5): 14.32; (8)ACD/KOC (pH 7.4): 261.35; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 56.17 cm3; (15)Molar Volume: 144.1 cm3; (16)Polarizability: 22.26×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 202.3 °C; (20)Enthalpy of Vaporization: 62.76 kJ/mol; (21)Boiling Point: 379.6 °C at 760 mmHg; (22)Vapour Pressure: 5.81E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)/C=C\c2[nH]ccn2
(2)InChI: InChI=1/C11H10N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-9H,(H,12,13)/b7-6-
(3)InChIKey: OPHSKKPSEMOQLM-SREVYHEPBY
(4)Std. InChI: InChI=1S/C11H10N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-9H,(H,12,13)/b7-6-
(5)Std. InChIKey: OPHSKKPSEMOQLM-SREVYHEPSA-N