Cas no 20040-96-4 (2-Pyrazinecarboxylicacid, 3-amino-5-ethyl-, methyl ester)
20040-96-4 structure
Product Name:2-Pyrazinecarboxylicacid, 3-amino-5-ethyl-, methyl ester
CAS No:20040-96-4
MF:C8H11N3O2
MW:181.191841363907
CID:240673
PubChem ID:45099816
Update Time:2025-04-19
2-Pyrazinecarboxylicacid, 3-amino-5-ethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrazinecarboxylicacid, 3-amino-5-ethyl-, methyl ester
- Pyrazinecarboxylicacid, 3-amino-5-ethyl-, methyl ester (8CI)
- methyl 3-amino-5-ethylpyrazine-2-carboxylate
- FT-0726045
- 20040-96-4
- METHYL3-AMINO-5-ETHYLPYRAZINE-2-CARBOXYLATE
- DTXSID40668148
-
- Inchi： 1S/C8H11N3O2/c1-3-5-4-10-6(7(9)11-5)8(12)13-2/h4H,3H2,1-2H3,(H2,9,11)
- InChI Key： MBPILEWZBOZONQ-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(N)N=C(C=N1)CC)=O
Computed Properties
- Exact Mass: 181.085
- Monoisotopic Mass: 181.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 186
- 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
- Topological Polar Surface Area: 78.1A^2
- XLogP3: 1
2-Pyrazinecarboxylicacid, 3-amino-5-ethyl-, methyl ester Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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