Cas no 159724-77-3 (Pyrrolo[3,4-e]benzimidazole,1,6,7,8-tetrahydro-7-methyl-)
![Pyrrolo[3,4-e]benzimidazole,1,6,7,8-tetrahydro-7-methyl- structure](https://ossimg.kuujia.com/scimg/160000/159724-77-3x500.png)
159724-77-3 structure
Product Name:Pyrrolo[3,4-e]benzimidazole,1,6,7,8-tetrahydro-7-methyl-
CAS No:159724-77-3
MF:C10H11N3
MW:173.214441537857
CID:109318
PubChem ID:45078043
Update Time:2025-04-18
Pyrrolo[3,4-e]benzimidazole,1,6,7,8-tetrahydro-7-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrrolo[3,4-e]benzimidazole,1,6,7,8-tetrahydro-7-methyl-
- Pyrrolo[3,4-e]benzimidazole, 1,6,7,8-tetrahydro-7-methyl- (9CI)
- Pyrrolo[3,4-e]benzimidazole,1,6,7,8-tetrahydro-7-methyl-(9ci)
- 159724-77-3
- 7-Methyl-1,6,7,8-tetrahydroimidazo[4,5-e]isoindole
-
- Inchi： 1S/C10H11N3/c1-13-4-7-2-3-9-10(8(7)5-13)12-6-11-9/h2-3,6H,4-5H2,1H3,(H,11,12)
- InChI Key： DWWZDSYHAURKEW-UHFFFAOYSA-N
- SMILES： N1(C)CC2C=CC3=C(C=2C1)N=CN3
Computed Properties
- Exact Mass: 173.09543
- Monoisotopic Mass: 173.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 206
- 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: 31.9A^2
- XLogP3: 0.9
Experimental Properties
- PSA: 31.92
Pyrrolo[3,4-e]benzimidazole,1,6,7,8-tetrahydro-7-methyl- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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