Cas no 61757-82-2 (Bicyclo[2.2.1]heptane-2,6-dicarbonitrile, 2-(2-cyanoethyl)-)
![Bicyclo[2.2.1]heptane-2,6-dicarbonitrile, 2-(2-cyanoethyl)- structure](https://ossimg.kuujia.com/scimg/62000/61757-82-2x500.png)
61757-82-2 structure
Product Name:Bicyclo[2.2.1]heptane-2,6-dicarbonitrile, 2-(2-cyanoethyl)-
CAS No:61757-82-2
MF:C12H13N3
MW:199.251722097397
CID:467275
PubChem ID:21414563
Update Time:2025-04-19
Bicyclo[2.2.1]heptane-2,6-dicarbonitrile, 2-(2-cyanoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.1]heptane-2,6-dicarbonitrile, 2-(2-cyanoethyl)-
- 3-(2-cyanoethyl)bicyclo[2.2.1]heptane-3,5-dicarbonitrile
- DTXSID00613412
- SCHEMBL11768416
- 61757-82-2
- 2-(2-Cyanoethyl)bicyclo[2.2.1]heptane-2,6-dicarbonitrile
-
- Inchi： 1S/C12H13N3/c13-3-1-2-12(8-15)6-9-4-10(7-14)11(12)5-9/h9-11H,1-2,4-6H2
- InChI Key： QLFYHKPYETZLBA-UHFFFAOYSA-N
- SMILES： N#CC1(CCC#N)CC2CC(C#N)C1C2
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-2,6-dicarbonitrile, 2-(2-cyanoethyl)- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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