Cas no 117257-88-2 (1,4,7,10,13-Pentaazabicyclo[11.2.2]heptadecane)
![1,4,7,10,13-Pentaazabicyclo[11.2.2]heptadecane structure](https://ossimg.kuujia.com/scimg/117500/117257-88-2x500.png)
117257-88-2 structure
Product Name:1,4,7,10,13-Pentaazabicyclo[11.2.2]heptadecane
CAS No:117257-88-2
MF:C12H27N5
MW:241.3762819767
CID:1206596
PubChem ID:14345016
Update Time:2025-04-20
1,4,7,10,13-Pentaazabicyclo[11.2.2]heptadecane Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7,10,13-Pentaazabicyclo[11.2.2]heptadecane
- 1,4,7,10,13-pentazabicyclo[11.2.2]heptadecane
- DTXSID00559184
- SCHEMBL9550974
- 117257-88-2
-
- Inchi： 1S/C12H27N5/c1-3-14-5-7-16-9-11-17(12-10-16)8-6-15-4-2-13-1/h13-15H,1-12H2
- InChI Key： RCVAPWJFQRVQMF-UHFFFAOYSA-N
- SMILES： N12CCNCCNCCNCCN(CC1)CC2
Computed Properties
- Exact Mass: 241.22691
- Monoisotopic Mass: 241.22664588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 171
- 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: -1.4
- Topological Polar Surface Area: 42.6?2
Experimental Properties
- PSA: 42.57
1,4,7,10,13-Pentaazabicyclo[11.2.2]heptadecane Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
117257-88-2 (1,4,7,10,13-Pentaazabicyclo[11.2.2]heptadecane) Related Products
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