Cas no 99840-50-3 (5-Ethyl-4-isopropyl-2-pyridinecarbonitrile)
99840-50-3 structure
Product Name:5-Ethyl-4-isopropyl-2-pyridinecarbonitrile
CAS No:99840-50-3
MF:C11H14N2
MW:174.242262363434
CID:1003051
Update Time:2023-08-03
5-Ethyl-4-isopropyl-2-pyridinecarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- Picolinonitrile, 5-ethyl-4-isopropyl- (6CI)
- 5-Ethyl-4-isopropyl-2-pyridinecarbonitrile
-
- Inchi： 1S/C11H14N2/c1-4-9-7-13-10(6-12)5-11(9)8(2)3/h5,7-8H,4H2,1-3H3
- InChI Key： OUTHSWKTBHKDGZ-UHFFFAOYSA-N
- SMILES： N1C(C#N)=CC(=C(C=1)CC)C(C)C
Computed Properties
- Exact Mass: 174.116
- Monoisotopic Mass: 174.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 201
- 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
- Topological Polar Surface Area: 36.7
5-Ethyl-4-isopropyl-2-pyridinecarbonitrile Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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