Cas no 58608-57-4 (Propanedinitrile, 2,2',2''-(1,2,3-cyclopropanetriylidene)tris-)
58608-57-4 structure
Product Name:Propanedinitrile, 2,2',2''-(1,2,3-cyclopropanetriylidene)tris-
CAS No:58608-57-4
MF:C12N6
MW:228.168600082397
CID:341482
PubChem ID:15490181
Update Time:2025-04-19
Propanedinitrile, 2,2',2''-(1,2,3-cyclopropanetriylidene)tris- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, 2,2',2''-(1,2,3-cyclopropanetriylidene)tris-
- 2-[2,3-bis(dicyanomethylidene)cyclopropylidene]propanedinitrile
- 58608-57-4
- 2,2',2''-(Cyclopropane-1,2,3-triylidene)tripropanedinitrile
- 2,2',2''-(Cyclopropane-1,2,3-triylidene)trimalononitrile
- SCHEMBL12112303
- DTXSID60573260
-
- Inchi： 1S/C12N6/c13-1-7(2-14)10-11(8(3-15)4-16)12(10)9(5-17)6-18
- InChI Key： MMVCMLWPITZPCN-UHFFFAOYSA-N
- SMILES： N#C/C(/C#N)=C1/C(=C(/C#N)\C#N)/C/1=C(/C#N)\C#N
Computed Properties
- Exact Mass: 228.0186
- Monoisotopic Mass: 228.01844403g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 666
- 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: -0.9
- Topological Polar Surface Area: 143?2
Experimental Properties
- PSA: 142.74
Propanedinitrile, 2,2',2''-(1,2,3-cyclopropanetriylidene)tris- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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