Cas no 121487-71-6 (Cyclohexanecarboxamide,4-cyano-, trans-)
121487-71-6 structure
Product Name:Cyclohexanecarboxamide,4-cyano-, trans-
CAS No:121487-71-6
MF:C8H12N2O
MW:152.193681716919
CID:133342
PubChem ID:10130057
Update Time:2025-04-19
Cyclohexanecarboxamide,4-cyano-, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxamide,4-cyano-, trans-
- Cyclohexanecarboxamide, 4-cyano-, trans- (9CI)
- SCHEMBL10489689
- 121487-71-6
- SCHEMBL2673326
- 121487-72-7
- SCHEMBL9773304
- Cyclohexanecarboxamide, 4-cyano-, cis- (9CI)
- trans-4-Cyanocyclohexanecarboxamide
- trans-4-cyanocyclohexane-1-carboxamide
- 4-cyanocyclohexane-1-carboxamide
-
- 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: 152.09506
- 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
Experimental Properties
- PSA: 66.88
Cyclohexanecarboxamide,4-cyano-, trans- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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