Cas no 86842-46-8 (Hexanenitrile, 2-ethyl-2-methyl-)
86842-46-8 structure
Product Name:Hexanenitrile, 2-ethyl-2-methyl-
CAS No:86842-46-8
MF:C9H17N
MW:139.23798251152
CID:660402
PubChem ID:57197936
Update Time:2025-04-19
Hexanenitrile, 2-ethyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-2-methylhexanenitrile
- Hexanenitrile, 2-ethyl-2-methyl-
- DTXSID50720529
- AKOS014713038
- SCHEMBL14509760
- 86842-46-8
-
- Inchi： 1S/C9H17N/c1-4-6-7-9(3,5-2)8-10/h4-7H2,1-3H3
- InChI Key： XFMVEHPOZXWLIZ-UHFFFAOYSA-N
- SMILES： N#CC(C)(CC)CCCC
Computed Properties
- Exact Mass: 139.136099547g/mol
- 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: 131
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 23.8?2
Hexanenitrile, 2-ethyl-2-methyl- Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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