Cas no 275-94-5 (Cycloheptimidazole)
Cycloheptimidazole structure
Product Name:Cycloheptimidazole
Cycloheptimidazole Chemical and Physical Properties
Names and Identifiers
-
- Cycloheptimidazole
- 1,3-Diazaazulene
- InChI=1/C8H6N2/c1-2-4-7-8(5-3-1)10-6-9-7/h1-6
- HPGSSIJHLUDJFV-UHFFFAOYSA-N
- 1,3-diaza-azulene
- cyclohept[d]imidazole
- DTXSID20348532
- cyclohepta[d]imidazole
- SCHEMBL1133525
- 275-94-5
-
- Inchi： 1S/C8H6N2/c1-2-4-7-8(5-3-1)10-6-9-7/h1-6H
- InChI Key： HPGSSIJHLUDJFV-UHFFFAOYSA-N
- SMILES： N1C=NC2=CC=CC=CC=12
Computed Properties
- Exact Mass: 130.05318
- Monoisotopic Mass: 130.053098200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 102
- 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
- XLogP3: 1.3
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Cycloheptimidazole Related Literature
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Yun-Ji Zhu,An-Jun Qin,Li-Min Fu,Xi-Cheng Ai,Zhi-Xin Guo,Jian-Ping Zhang,Cheng Ye J. Mater. Chem. 2007 17 2101
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2. Synthesis and some reactions of 1,2-diamino-1,3-diaza- and 1,2-diamino-1-azaazulenium saltsNoritaka Abe,Kunihiko Odagiri,Miki Otani,Etsuko Fujinaga,Hiroyuki Fujii,Akikazu Kakehi J. Chem. Soc. Perkin Trans. 1 1999 1339
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3. A route to 6-functionalised 1,3-diaza-azulenes and aminotropones via hydride replacement from cycloheptatrienonesMarino Cavazza,Renzo Cabrino,Francesco Del Cima,Francesco Pietra J. Chem. Soc. Perkin Trans. 1 1978 609
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4. A route to 6-functionalised 1,3-diaza-azulenes and aminotropones via hydride replacement from cycloheptatrienonesMarino Cavazza,Renzo Cabrino,Francesco Del Cima,Francesco Pietra J. Chem. Soc. Perkin Trans. 1 1978 609
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5. Reactions of diethyl azulene-1,3-dicarboxylate derivatives and 1-azaazulene derivatives with Grignard reagents, and alkyl- and aryllithiumTadayoshi Morita,Noritaka Abe,Kahei Takase J. Chem. Soc. Perkin Trans. 1 2000 3063
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