Cas no 121487-72-7 (Cyclohexanecarboxamide,4-cyano-, cis-)
121487-72-7 structure
Product Name:Cyclohexanecarboxamide,4-cyano-, cis-
CAS No:121487-72-7
MF:C8H12N2O
MW:152.193681716919
CID:133343
PubChem ID:10130057
Update Time:2025-04-19
Cyclohexanecarboxamide,4-cyano-, cis- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxamide,4-cyano-, cis-
- Cyclohexanecarboxamide, 4-cyano-, cis- (9CI)
- 4-cyanocyclohexane-1-carboxamide
- SCHEMBL2673326
- trans-4-Cyanocyclohexanecarboxamide
- SCHEMBL10489689
- 121487-72-7
- Cyclohexanecarboxamide, 4-cyano-, trans- (9CI)
- SCHEMBL9773304
- trans-4-cyanocyclohexane-1-carboxamide
- 121487-71-6
-
- Inchi： 1S/C8H12N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-4H2,(H2,10,11)
- InChI Key： CNJKDSZYFGSKDG-UHFFFAOYSA-N
- SMILES： O=C(C1CCC(C#N)CC1)N
Computed Properties
- Exact Mass: 152.094963011g/mol
- Monoisotopic Mass: 152.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 195
- 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: 0
- Topological Polar Surface Area: 66.9?2
Cyclohexanecarboxamide,4-cyano-, cis- Related Literature
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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
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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