Cas no 8016-33-9 (4-Oxo-1-(2-pyridinyl)cyclohexanecarbonitrile)
8016-33-9 structure
Product Name:4-Oxo-1-(2-pyridinyl)cyclohexanecarbonitrile
CAS No:8016-33-9
MF:C12H12N2O
MW:200.236482620239
CID:722466
Update Time:2023-08-02
4-Oxo-1-(2-pyridinyl)cyclohexanecarbonitrile Chemical and Physical Properties
Names and Identifiers
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- Oils, marjoram, Spanish
- MARJORAM OIL, SPANISH TYPE, FCC
- MarjoraM oil, Spanish
- Oil of wild MarjoraM
- OriganuM oil
- 4-OXO-1-(2-PYRIDINYL)CYCLOHEXANECARBONITRILE
- 4-Cyano-4-(2-pyridinyl)cyclohexanone
- 4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile
- 4-oxo-1-(pyridin-2-yl)cyclohexanecarbonitrile
- Cyclohexanecarbonitrile, 4-oxo-1-(2-pyridinyl)-
- 4-Oxo-1-(2-pyridinyl)cyclohexanecarbonitrile
-
- Inchi： 1S/C12H12N2O/c13-9-12(6-4-10(15)5-7-12)11-3-1-2-8-14-11/h1-3,8H,4-7H2
- InChI Key： RYGXCMJMVYJVGM-UHFFFAOYSA-N
- SMILES： O=C1CCC(C#N)(C2C=CC=CN=2)CC1
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 1000
- XLogP3: 0.6
- Topological Polar Surface Area: 53.8
Experimental Properties
- Color/Form: Yellowish volatile liquid with camphor smell
- Density: 0.909?g/mL?at 25?°C(lit.)
- Boiling Point: 168?°C(lit.)
- Flash Point: 125?°F
- Refractive Index: n20/D 1.463(lit.)
- Solubility: Insoluble in water, soluble in most non-volatile oils, insoluble in glycerol \ propylene glycol and mineral oil. It also has anti mold properties
4-Oxo-1-(2-pyridinyl)cyclohexanecarbonitrile Security Information
- Hazardous Material transportation number：UN 1993 3/PG 2
- WGK Germany：3
- Hazard Category Code： 10-65-51/53-43-36/38
- Safety Instruction： 16-62-61-36/37-26-24
-
Hazardous Material Identification：
4-Oxo-1-(2-pyridinyl)cyclohexanecarbonitrile Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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