Cas no 192933-53-2 (2,3-Pyrazinedicarbonitrile,5-(hydroxymethyl)-6-methyl-)
192933-53-2 structure
Product Name:2,3-Pyrazinedicarbonitrile,5-(hydroxymethyl)-6-methyl-
CAS No:192933-53-2
MF:C8H6N4O
MW:174.159440517426
CID:116268
PubChem ID:10631057
Update Time:2025-04-18
2,3-Pyrazinedicarbonitrile,5-(hydroxymethyl)-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Pyrazinedicarbonitrile,5-(hydroxymethyl)-6-methyl-
- 5-(HYDROXYMETHYL)-6-METHYLPYRAZINE-2,3-DICARBONITRILE
- 2,3-Pyrazinedicarbonitrile,5-(hydroxymethyl)-6-methyl-(9CI)
- 192933-53-2
-
- Inchi： 1S/C8H6N4O/c1-5-8(4-13)12-7(3-10)6(2-9)11-5/h13H,4H2,1H3
- InChI Key： ZZFFSQCUKGCTCO-UHFFFAOYSA-N
- SMILES： OCC1C(C)=NC(C#N)=C(C#N)N=1
Computed Properties
- Exact Mass: 174.05416083g/mol
- Monoisotopic Mass: 174.05416083g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 272
- 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: -0.3
- Topological Polar Surface Area: 93.6?2
2,3-Pyrazinedicarbonitrile,5-(hydroxymethyl)-6-methyl- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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