Cas no 120821-83-2 (N-(5-methyl-2-pyrazinyl)-Formamide)
120821-83-2 structure
Product Name:N-(5-methyl-2-pyrazinyl)-Formamide
CAS No:120821-83-2
MF:C6H7N3O
MW:137.139280557632
CID:1101858
Update Time:2024-07-25
N-(5-methyl-2-pyrazinyl)-Formamide Chemical and Physical Properties
Names and Identifiers
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- N-(5-methyl-2-pyrazinyl)-Formamide
- Formamide, N-(5-methyl-2-pyrazinyl)-
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- Inchi： 1S/C6H7N3O/c1-5-2-8-6(3-7-5)9-4-10/h2-4H,1H3,(H,8,9,10)
- InChI Key： JDOGBTHTAKZZDG-UHFFFAOYSA-N
- SMILES： C(NC1=NC=C(C)N=C1)=O
Computed Properties
- Exact Mass: 137.059
- Monoisotopic Mass: 137.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 118
- 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: _0.4
- Topological Polar Surface Area: 54.9A^2
Experimental Properties
- Density: 1.258±0.06 g/cm3(Predicted)
- Boiling Point: 335.2±42.0 °C(Predicted)
- pka: 12.77±0.70(Predicted)
N-(5-methyl-2-pyrazinyl)-Formamide Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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