Cas no 49826-28-0 (Cycloheptanecarbonitrile,1-(1-methylethyl)-)
49826-28-0 structure
Product Name:Cycloheptanecarbonitrile,1-(1-methylethyl)-
CAS No:49826-28-0
MF:C11H19N
MW:165.27526307106
CID:328838
Update Time:2024-01-28
Cycloheptanecarbonitrile,1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Cycloheptanecarbonitrile,1-(1-methylethyl)-
- Cycloheptanecarbonitrile, 1-(1-methylethyl)- (9CI)
- Cycloheptanecarbonitrile, 1-(1-methylethyl)-
-
- Inchi： 1S/C11H19N/c1-10(2)11(9-12)7-5-3-4-6-8-11/h10H,3-8H2,1-2H3
- InChI Key： UGUHGWPJKTWYLK-UHFFFAOYSA-N
- SMILES： C1(C(C)C)(C#N)CCCCCC1
Computed Properties
- Exact Mass: 165.15200
- Monoisotopic Mass: 165.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 23.8A^2
Experimental Properties
- Density: 0.888
- Boiling Point: 216.1 °C at 760 mmHg
- Flash Point: 76.7 °C
- PSA: 23.79000
- LogP: 3.50658
Cycloheptanecarbonitrile,1-(1-methylethyl)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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