Cas no 31410-00-1 (1H-Imidazole,1-(2-buten-1-yl)-)
31410-00-1 structure
Product Name:1H-Imidazole,1-(2-buten-1-yl)-
CAS No:31410-00-1
MF:C7H10N2
MW:122.167701244354
CID:298888
Update Time:2024-01-27
1H-Imidazole,1-(2-buten-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole,1-(2-buten-1-yl)-
- 1H-Imidazole,1-(2-butenyl)- (9CI)
- Imidazole, 1-(2-butenyl)- (8CI)
- 1H-Imidazole,1-(2-butenyl)-(9CI)
- 1H-Imidazole, 1-(2-buten-1-yl)-
-
- Inchi： 1S/C7H10N2/c1-2-3-5-9-6-4-8-7-9/h2-4,6-7H,5H2,1H3
- InChI Key： AKBNVSZFPAJJDT-UHFFFAOYSA-N
- SMILES： C1N(CC=CC)C=CN=1
Computed Properties
- Exact Mass: 122.0845
- Monoisotopic Mass: 122.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 99.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
Experimental Properties
- Density: 0.93±0.1 g/cm3(Predicted)
- Boiling Point: 240.5±19.0 °C(Predicted)
- PSA: 17.82
- pka: 6.96±0.12(Predicted)
1H-Imidazole,1-(2-buten-1-yl)- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
31410-00-1 (1H-Imidazole,1-(2-buten-1-yl)-) Related Products
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