Cas no 62585-50-6 (Propanenitrile, 3,3'-[1,6-hexanediylbis(oxy)]bis-)
62585-50-6 structure
Product Name:Propanenitrile, 3,3'-[1,6-hexanediylbis(oxy)]bis-
CAS No:62585-50-6
MF:C12H20N2O2
MW:224.299403190613
CID:439081
PubChem ID:71384926
Update Time:2025-04-19
Propanenitrile, 3,3'-[1,6-hexanediylbis(oxy)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile, 3,3'-[1,6-hexanediylbis(oxy)]bis-
- 3-[6-(2-cyanoethoxy)hexoxy]propanenitrile
- 3,3'-[Hexane-1,6-diylbis(oxy)]dipropanenitrile
- DTXSID20807174
- 62585-50-6
-
- Inchi: 1S/C12H20N2O2/c13-7-5-11-15-9-3-1-2-4-10-16-12-6-8-14/h1-6,9-12H2
- InChI Key: DLVWZTLQUSOULM-UHFFFAOYSA-N
- SMILES: O(CCC#N)CCCCCCOCCC#N
Computed Properties
- Exact Mass: 224.1526
- Monoisotopic Mass: 224.152477885g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 210
- 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: 0.7
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 66.04
Propanenitrile, 3,3'-[1,6-hexanediylbis(oxy)]bis- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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