Cas no 827629-53-8 (1H-Pyrazole-4-carbonitrile, 5-amino-1-octyl-)
827629-53-8 structure
Product Name:1H-Pyrazole-4-carbonitrile, 5-amino-1-octyl-
CAS No:827629-53-8
MF:C12H20N4
MW:220.314002037048
CID:682651
PubChem ID:67144054
Update Time:2025-04-19
1H-Pyrazole-4-carbonitrile, 5-amino-1-octyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carbonitrile, 5-amino-1-octyl-
- 5-amino-1-octylpyrazole-4-carbonitrile
- 827629-53-8
- SCHEMBL1740693
- DTXSID20736511
- MZGZOWSHVDBAPG-UHFFFAOYSA-N
- 5-amino-1-octyl-1H-pyrazole-4-carbonitrile
-
- Inchi： 1S/C12H20N4/c1-2-3-4-5-6-7-8-16-12(14)11(9-13)10-15-16/h10H,2-8,14H2,1H3
- InChI Key： MZGZOWSHVDBAPG-UHFFFAOYSA-N
- SMILES： N1(C(=C(C#N)C=N1)N)CCCCCCCC
Computed Properties
- Exact Mass: 220.16879665g/mol
- Monoisotopic Mass: 220.16879665g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 232
- 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: 3.5
- Topological Polar Surface Area: 67.6?2
1H-Pyrazole-4-carbonitrile, 5-amino-1-octyl- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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