Cas no 20923-70-0 (Heptanenitrile, 2,2-dimethyl-)
Heptanenitrile, 2,2-dimethyl- structure
Product Name:Heptanenitrile, 2,2-dimethyl-
CAS No:20923-70-0
MF:C9H17N
MW:139.23798251152
CID:1397190
PubChem ID:12859569
Update Time:2025-04-20
Heptanenitrile, 2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptanenitrile, 2,2-dimethyl-
- 2,2-dimethylheptanenitrile
- SCHEMBL10916892
- 20923-70-0
- AKOS014714281
- DTXSID70511673
- ALLJXBMSGYPKEX-UHFFFAOYSA-N
-
- Inchi： 1S/C9H17N/c1-4-5-6-7-9(2,3)8-10/h4-7H2,1-3H3
- InChI Key： ALLJXBMSGYPKEX-UHFFFAOYSA-N
- SMILES： N#CC(C)(C)CCCCC
Computed Properties
- Exact Mass: 139.13621
- Monoisotopic Mass: 139.136099547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 127
- 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: 3.4
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Heptanenitrile, 2,2-dimethyl- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
20923-70-0 (Heptanenitrile, 2,2-dimethyl-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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