Cas no 57963-90-3 (2,6,10-Trimethylundecanenitrile)
57963-90-3 structure
Product Name:2,6,10-Trimethylundecanenitrile
CAS No:57963-90-3
MF:C14H27N
MW:209.370884180069
CID:1607901
PubChem ID:71438649
Update Time:2025-04-21
2,6,10-Trimethylundecanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,6,10-Trimethylundecanenitrile
- DB-302488
- 57963-90-3
-
- Inchi： 1S/C14H27N/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h12-14H,5-10H2,1-4H3
- InChI Key： PWCNRALBCUNRJE-UHFFFAOYSA-N
- SMILES： N#CC(C)CCCC(C)CCCC(C)C
Computed Properties
- Exact Mass: 209.214349865g/mol
- Monoisotopic Mass: 209.214349865g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 23.8?2
2,6,10-Trimethylundecanenitrile Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jason Wan Lab Chip, 2020,20, 4528-4538
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