Cas no 13945-80-7 (Nonanedinitrile,2,2,8,8-tetramethyl-)
13945-80-7 structure
Product Name:Nonanedinitrile,2,2,8,8-tetramethyl-
CAS No:13945-80-7
MF:C13H22N2
MW:206.327183246613
CID:229941
PubChem ID:264246
Update Time:2025-04-19
Nonanedinitrile,2,2,8,8-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- Nonanedinitrile,2,2,8,8-tetramethyl-
- 2,2,8,8-tetramethylnonanedinitrile
- 2,2,8,8-Tetramethyl-azelainsaeure-dinitril
- 2,2,8,8-Tetramethylnonandinitril
- 2,2,8,8-tetramethyl-nonanedinitrile
- AC1L6BGQ
- AC1Q4QRX
- AG-J-43394
- AR-1D0795
- CTK4C1815
- NSC99247
- DTXSID00295010
- NSC-99247
- 13945-80-7
-
- Inchi： 1S/C13H22N2/c1-12(2,10-14)8-6-5-7-9-13(3,4)11-15/h5-9H2,1-4H3
- InChI Key： YCVYNODSHCUHLH-UHFFFAOYSA-N
- SMILES： N#CC(C)(C)CCCCCC(C#N)(C)C
Computed Properties
- Exact Mass: 206.17846
- Monoisotopic Mass: 206.178298710g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 252
- 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: 3.8
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
- LogP: 4.03646
Nonanedinitrile,2,2,8,8-tetramethyl- Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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