Cas no 313339-98-9 (3,5-dichloro-6-(2-hydroxypropan-2-yl)pyrazine-2-carboxamide)
313339-98-9 structure
Product Name:3,5-dichloro-6-(2-hydroxypropan-2-yl)pyrazine-2-carboxamide
CAS No:313339-98-9
MF:C8H9Cl2N3O2
MW:250.081959486008
CID:2105853
Update Time:2023-11-19
3,5-dichloro-6-(2-hydroxypropan-2-yl)pyrazine-2-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- 3,5-dichloro-6-(2-hydroxypropan-2-yl)pyrazine-2-carboxamide
- XZAUPWBEZGOETH-UHFFFAOYSA-N
- 3,5-dichloro-6-(1-hydroxy-1-methylethyl)pyrazine-2-carboxamide
- CID 86662050
- 2-Pyrazinecarboxamide, 3,5-dichloro-6-(1-hydroxy-1-methylethyl)-
-
- Inchi： 1S/C8H9Cl2N3O2/c1-8(2,15)4-6(10)13-5(9)3(12-4)7(11)14/h15H,1-2H3,(H2,11,14)
- InChI Key： XZAUPWBEZGOETH-UHFFFAOYSA-N
- SMILES： ClC1C(C(C)(C)O)=NC(C(N)=O)=C(N=1)Cl
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 262
- Topological Polar Surface Area: 89.1
Experimental Properties
- Density: 1.504±0.06 g/cm3(Predicted)
- Boiling Point: 345.6±42.0 °C(Predicted)
- pka: 11.65±0.29(Predicted)
3,5-dichloro-6-(2-hydroxypropan-2-yl)pyrazine-2-carboxamide Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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