Cas no 51221-10-4 (Propanedinitrile, dioctyl-)
Propanedinitrile, dioctyl- structure
Product Name:Propanedinitrile, dioctyl-
CAS No:51221-10-4
MF:C19H34N2
MW:290.486665248871
CID:362917
PubChem ID:71366219
Update Time:2025-04-19
Propanedinitrile, dioctyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, dioctyl-
- 2,2-dioctylpropanedinitrile
- 51221-10-4
- DIOCTYLPROPANEDINITRILE
- DTXSID40789589
-
- Inchi： 1S/C19H34N2/c1-3-5-7-9-11-13-15-19(17-20,18-21)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
- InChI Key： PSCIKDBEWUDMKK-UHFFFAOYSA-N
- SMILES： N#CC(C#N)(CCCCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 290.27242
- Monoisotopic Mass: 290.272199093g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 14
- Complexity: 294
- 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: 8
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
Propanedinitrile, dioctyl- Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
51221-10-4 (Propanedinitrile, dioctyl-) Related Products
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