Cas no 65889-64-7 ( )
structure
Product Name:
CAS No:65889-64-7
MF:C4H3N3O
MW:109.086119890213
CID:962752
PubChem ID:437589
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2,2-dicyanoacetamide
- AC1L9409
- carbamoyldicyanomethanide potassium salt
- K(carbamoyldicyanomethanide)
- Kalium-carbamyl-dicyanomethanid
- NSC522119
- potassium carbamoyldicyanomethanide
- potassium carbamyldicyanomethanide
- potassium salt of 2,2-dicyanoacetamide
- SCHEMBL5381405
- NSC-522119
- 65889-64-7
- carbamyl-dicyanomethane
- DS-003468
- DTXSID00331346
- AKOS006350885
- bis-cyanoacetamide
-
-
- Inchi: 1S/C4H3N3O/c5-1-3(2-6)4(7)8/h3H,(H2,7,8)
- InChI Key: MUVFZOSESRRBCU-UHFFFAOYSA-N
- SMILES: O=C(C(C#N)C#N)N
Computed Properties
- Exact Mass: 109.02769
- Monoisotopic Mass: 109.027611728g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 174
- 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: -1
- Topological Polar Surface Area: 90.7?2
Experimental Properties
- PSA: 90.67
- LogP: -0.16464
Related Literature
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
-
Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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