Cas no 146450-02-4 (1H-Imidazole-2-carboxamide,4,5-dimethyl-)
146450-02-4 structure
Product Name:1H-Imidazole-2-carboxamide,4,5-dimethyl-
CAS No:146450-02-4
MF:C6H9N3O
MW:139.155160665512
CID:105486
PubChem ID:45084072
Update Time:2025-04-18
1H-Imidazole-2-carboxamide,4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-carboxamide,4,5-dimethyl-
- 1H-Imidazole-2-carboxamide,4,5-dimethyl-(9CI)
- 4,5-Dimethyl-1H-imidazole-2-carboxamide
- AKOS006359837
- 146450-02-4
- dimethyl-imidazol-carboxamid
-
- Inchi： 1S/C6H9N3O/c1-3-4(2)9-6(8-3)5(7)10/h1-2H3,(H2,7,10)(H,8,9)
- InChI Key： VPWSOMDLVSIPSC-UHFFFAOYSA-N
- SMILES： O=C(C1=NC(C)=C(C)N1)N
Computed Properties
- Exact Mass: 139.07500
- Monoisotopic Mass: 139.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 71.8A^2
- XLogP3: 0.1
Experimental Properties
- PSA: 71.77000
- LogP: 0.82570
1H-Imidazole-2-carboxamide,4,5-dimethyl- Related Literature
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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