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CAS No.: | 3752-24-7 |
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Name: | 4,5,6,7-tetrahydro-1H-benzoimidazole |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C7H10N2 |
Molecular Weight: | 122.17 |
Synonyms: | Benzimidazole,4,5,6,7-tetrahydro- (6CI,7CI,8CI);4,5-Cyclotetramethyleneimidazole;4,5-Tetramethylene-1H-imidazole;4,5-Tetramethyleneimidazole;NSC 195331;4,5,6,7-Tetrahydro-1H-benzimidazol;4,5,6,7-Tetrahydro-1H-benzimidazole;4,5,6,7-Tetrahydrobenzimidazole; |
Density: | 1.133 g/cm3 |
Melting Point: | 150 °C |
Boiling Point: | 335 °C at 760 mmHg |
Flash Point: | 183.6 °C |
PSA: | 28.68000 |
LogP: | 1.28850 |
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The 1H-Benzimidazole,4,5,6,7-tetrahydro- is an organic compound with the formula C7H10N2. The IUPAC name of this chemical is 4,5,6,7-tetrahydro-1H-benzimidazole. With the CAS registry number 3752-24-7, it is also named as 3,4,5,6,7-pentahydrobenzimidazole. The product's category is Imidazol & Benzimidazole.
Physical properties about 1H-Benzimidazole,4,5,6,7-tetrahydro- are: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 7.4): 0.65; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1.14; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 21.58; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)Polar Surface Area: 17.82 Å2; (10)Index of Refraction: 1.573; (11)Molar Refractivity: 35.56 cm3; (12)Molar Volume: 107.8 cm3; (13)Polarizability: 14.09×10-24cm3; (14)Surface Tension: 50.4 dyne/cm; (15)Density: 1.133 g/cm3; (16)Flash Point: 183.6 °C; (17)Enthalpy of Vaporization: 55.51 kJ/mol; (18)Boiling Point: 335 °C at 760 mmHg; (19)Vapour Pressure: 0.00024 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c2c(nc1)CCCC2
(2)InChI: InChI=1/C7H10N2/c1-2-4-7-6(3-1)8-5-9-7/h5H,1-4H2,(H,8,9)
(3)InChIKey: KAWYASGZISVRAL-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H10N2/c1-2-4-7-6(3-1)8-5-9-7/h5H,1-4H2,(H,8,9)
(5)Std. InChIKey: KAWYASGZISVRAL-UHFFFAOYSA-N