Cas no 39589-17-8 (2-cyano-N',N'-dimethylacetohydrazide)
39589-17-8 structure
Product Name:2-cyano-N',N'-dimethylacetohydrazide
CAS No:39589-17-8
MF:C5H9N3O
MW:127.144460439682
CID:2626681
PubChem ID:240711
Update Time:2025-04-21
2-cyano-N',N'-dimethylacetohydrazide Chemical and Physical Properties
Names and Identifiers
-
- 2-cyano-N',N'-dimethylacetohydrazide
- CTK2G3228; SureCN7664788; CHEMBL73801; 1-cyano-9H-pyrido[3,4-b]indole; 1-cyanoacetyl-2,2-dimethylhydrazine; cyano-acetic acid-(N',N'-dimethyl-hydrazide); Cyan-essigsaeure-(N',N'-dimethyl-hydrazid); Cyanessigsaeure-N,N-dimethylhydrazid; 2-cyano-N',N'-dimethylacetohydrazide;
- NSC-47223
- SCHEMBL12676005
- 39589-17-8
- NSC47223
- DTXSID60960196
- AKOS021337547
- 2-Cyano-N,N-dimethylethanehydrazonic acid
-
- Inchi： 1S/C5H9N3O/c1-8(2)7-5(9)3-4-6/h3H2,1-2H3,(H,7,9)
- InChI Key： ISKSTYGMSPWAMD-UHFFFAOYSA-N
- SMILES： O=C(CC#N)NN(C)C
Computed Properties
- Exact Mass: 127.07467
- Monoisotopic Mass: 127.074561919Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 144
- 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: 56.1?2
Experimental Properties
- PSA: 56.13
2-cyano-N',N'-dimethylacetohydrazide Related Literature
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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