Cas no 342614-31-7 (Cyclohexanecarbonitrile, 2-imino-)
342614-31-7 structure
Product Name:Cyclohexanecarbonitrile, 2-imino-
CAS No:342614-31-7
MF:C7H10N2
MW:122.167701244354
CID:2944146
PubChem ID:324039
Update Time:2024-03-01
Cyclohexanecarbonitrile, 2-imino- Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanecarbonitrile, 2-imino-
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- Inchi： 1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h6,9H,1-4H2
- InChI Key： LXVRLJJPHSMEHI-UHFFFAOYSA-N
- SMILES： C1(C#N)CCCCC1=N
Computed Properties
- Exact Mass: 122.084398327g/mol
- Monoisotopic Mass: 122.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 47.6?2
Cyclohexanecarbonitrile, 2-imino- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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