Cas no 23979-29-5 (3,4-Diazatricyclo[4.2.1.02,5]nona-3,7-diene,(1R,2R,5S,6S)-rel- (9CI))
![3,4-Diazatricyclo[4.2.1.02,5]nona-3,7-diene,(1R,2R,5S,6S)-rel- (9CI) structure](https://ossimg.kuujia.com/scimg/24000/23979-29-5x500.png)
23979-29-5 structure
Product Name:3,4-Diazatricyclo[4.2.1.02,5]nona-3,7-diene,(1R,2R,5S,6S)-rel- (9CI)
3,4-Diazatricyclo[4.2.1.02,5]nona-3,7-diene,(1R,2R,5S,6S)-rel- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Diazatricyclo[4.2.1.02,5]nona-3,7-diene,(1R,2R,5S,6S)-rel- (9CI)
- 3,4-Diazatricyclo[4.2.1.02,5]nona-3,7-diene
- 23979-29-5
- 3,4-Diazatricyclo[4.2.1.0~2,5~]nona-3,7-diene
- 3,4-Diazatricyclo(4.2.1.02,5)nona-3,7-diene
- DTXSID50946828
- AKOS004902482
-
- Inchi： 1S/C7H8N2/c1-2-5-3-4(1)6-7(5)9-8-6/h1-2,4-7H,3H2
- InChI Key： UNSPTTVDHBABCW-UHFFFAOYSA-N
- SMILES： N1C2C(C3C=CC2C3)N=1
Computed Properties
- Exact Mass: 120.06884
- Monoisotopic Mass: 120.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 24.7?2
Experimental Properties
- PSA: 24.72
3,4-Diazatricyclo[4.2.1.02,5]nona-3,7-diene,(1R,2R,5S,6S)-rel- (9CI) Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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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
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