Cas no 16728-49-7 (Propanenitrile,3-(octyloxy)-)
Propanenitrile,3-(octyloxy)- structure
Product Name:Propanenitrile,3-(octyloxy)-
CAS No:16728-49-7
MF:C11H21NO
MW:183.290543317795
CID:198141
PubChem ID:85576
Update Time:2025-04-19
Propanenitrile,3-(octyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile,3-(octyloxy)-
- 3-(Octyloxy)propionitrile
- 3-(octyloxy)propiononitrile
- 3-Octoxypropanenitrile
- 3-Octyloxypropanenitrile
- Einecs 240-789-0
- 2-Cyanoethyloctyl ether
- Propanenitrile, 3-(octyloxy)-
- CAS-16728-49-7
- NS00025485
- DTXCID6024599
- DTXSID8044599
- SCHEMBL8874932
- CHEMBL3181931
- 3-(octyloxy)propanenitrile
- 1Y28X0CVR4
- Q27253133
- 16728-49-7
- NCGC00256642-01
- Tox21_302450
- UNII-1Y28X0CVR4
- 3-OCTYLOXYPROPIONITRILE
- AKOS009262683
-
- Inchi： 1S/C11H21NO/c1-2-3-4-5-6-7-10-13-11-8-9-12/h2-8,10-11H2,1H3
- InChI Key： JUBCYGQFVNMTIM-UHFFFAOYSA-N
- SMILES： O(CCC#N)CCCCCCCC
Computed Properties
- Exact Mass: 183.16243
- Monoisotopic Mass: 183.162314293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 136
- 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: 3.2
- Topological Polar Surface Area: 33?2
Experimental Properties
- PSA: 33.02
Propanenitrile,3-(octyloxy)- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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