Cas no 855425-38-6 (1-(2-Ethylbutyl)cyclohexanecarbonitrile)
855425-38-6 structure
Product Name:1-(2-Ethylbutyl)cyclohexanecarbonitrile
CAS No:855425-38-6
MF:C13H23N
MW:193.32842373848
CID:2662019
Update Time:2023-08-07
1-(2-Ethylbutyl)cyclohexanecarbonitrile Chemical and Physical Properties
Names and Identifiers
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- 1-(2-Ethylbutyl)cyclohexanecarbonitrile
- DRMOLJPDSCAGCC-UHFFFAOYSA-N
- 1-(2-ethyl-butyl)-cyclohexanecarbonitrile
- 1-(2-ethyl butyl) cyclohexane carbonitrile
-
- Inchi： 1S/C13H23N/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12H,3-10H2,1-2H3
- InChI Key： DRMOLJPDSCAGCC-UHFFFAOYSA-N
- SMILES： N#CC1(CCCCC1)CC(CC)CC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 201
- Topological Polar Surface Area: 23.8
1-(2-Ethylbutyl)cyclohexanecarbonitrile Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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