Cas no 61757-81-1 (Bicyclo[2.2.1]heptane-2,5-dicarbonitrile, 2-(2-cyanoethyl)-)
![Bicyclo[2.2.1]heptane-2,5-dicarbonitrile, 2-(2-cyanoethyl)- structure](https://ossimg.kuujia.com/scimg/62000/61757-81-1x500.png)
61757-81-1 structure
Product Name:Bicyclo[2.2.1]heptane-2,5-dicarbonitrile, 2-(2-cyanoethyl)-
CAS No:61757-81-1
MF:C12H13N3
MW:199.251722097397
CID:467276
PubChem ID:21414565
Update Time:2025-04-19
Bicyclo[2.2.1]heptane-2,5-dicarbonitrile, 2-(2-cyanoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.1]heptane-2,5-dicarbonitrile, 2-(2-cyanoethyl)-
- 2-(2-cyanoethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile
- 61757-81-1
- DTXSID60613413
- SCHEMBL11764003
-
- Inchi： 1S/C12H13N3/c13-3-1-2-12(8-15)6-9-4-11(12)5-10(9)7-14/h9-11H,1-2,4-6H2
- InChI Key： SVCCRYHVJVVEIW-UHFFFAOYSA-N
- SMILES： N#CC1(CCC#N)CC2C(C#N)CC1C2
Computed Properties
- Exact Mass: 199.11109
- Monoisotopic Mass: 199.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 412
- 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: 0.9
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- PSA: 71.37
Bicyclo[2.2.1]heptane-2,5-dicarbonitrile, 2-(2-cyanoethyl)- Related Literature
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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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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
61757-81-1 (Bicyclo[2.2.1]heptane-2,5-dicarbonitrile, 2-(2-cyanoethyl)-) Related Products
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