Cas no 25938-93-6 (Bicyclo[2.2.2]octane-1-carbonitrile)
![Bicyclo[2.2.2]octane-1-carbonitrile structure](https://ossimg.kuujia.com/scimg/26000/25938-93-6x500.png)
25938-93-6 structure
Product Name:Bicyclo[2.2.2]octane-1-carbonitrile
CAS No:25938-93-6
MF:C9H13N
MW:135.206222295761
CID:1424716
PubChem ID:2735877
Update Time:2025-04-20
Bicyclo[2.2.2]octane-1-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.2]octane-1-carbonitrile
- AT40472
- 25938-93-6
- InChI=1/C9H13N/c10-7-9-4-1-8(2-5-9)3-6-9/h8H,1-6H
-
- Inchi： 1S/C9H13N/c10-7-9-4-1-8(2-5-9)3-6-9/h8H,1-6H2
- InChI Key： ISPHHZHLSLZHMD-UHFFFAOYSA-N
- SMILES： N#CC12CCC(CC1)CC2
Computed Properties
- Exact Mass: 135.10489
- Monoisotopic Mass: 135.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 164
- 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: 2.3
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Bicyclo[2.2.2]octane-1-carbonitrile Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
25938-93-6 (Bicyclo[2.2.2]octane-1-carbonitrile) Related Products
- 766-05-2(Cyclohexanecarbonitrile)
- 23074-42-2(adamantane-1-carbonitrile)
- 168280-46-4(1,3,5-Cyclohexanetricarbonitrile)
- 4172-99-0(Gabapentin Related Bis-nitrile)
- 10534-13-1(1,4-Cyclohexanedicarbonitrile)
- 4172-97-8(2-Ethyl-2-methyl-succinonitrile)
- 55897-64-8(2-Isopropyl-2,3-dimethyl-butyronitrile)
- 16269-13-9(1-Adamantaneacetonitrile)
- 21864-76-6(2-ethyl-2-methyl-butanenitrile)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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