Cas no 69857-46-1 (1-methyl-1H-Pyrrole-2,5-dicarbonitrile)
69857-46-1 structure
Product Name:1-methyl-1H-Pyrrole-2,5-dicarbonitrile
CAS No:69857-46-1
MF:C7H5N3
MW:131.134700536728
CID:1116219
PubChem ID:12572401
Update Time:2025-04-20
1-methyl-1H-Pyrrole-2,5-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-1H-Pyrrole-2,5-dicarbonitrile
- 1-methylpyrrole-2,5-dicarbonitrile
- DTXSID00503021
- 69857-46-1
- SCHEMBL2002285
- DB-111333
-
- Inchi： 1S/C7H5N3/c1-10-6(4-8)2-3-7(10)5-9/h2-3H,1H3
- InChI Key： MAGUPVNZMSWOEI-UHFFFAOYSA-N
- SMILES： N1(C)C(C#N)=CC=C1C#N
Computed Properties
- Exact Mass: 131.048347172g/mol
- Monoisotopic Mass: 131.048347172g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 192
- 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: 0.8
- Topological Polar Surface Area: 52.5?2
1-methyl-1H-Pyrrole-2,5-dicarbonitrile Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
69857-46-1 (1-methyl-1H-Pyrrole-2,5-dicarbonitrile) Related Products
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