Cas no 70319-58-3 (1,4,5-trimethyl-1h-pyrrole-2-carbonitrile)
70319-58-3 structure
Product Name:1,4,5-trimethyl-1h-pyrrole-2-carbonitrile
CAS No:70319-58-3
MF:C8H10N2
MW:134.178401470184
CID:974965
PubChem ID:45087614
Update Time:2025-04-19
1,4,5-trimethyl-1h-pyrrole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1,4,5-trimethyl-1h-pyrrole-2-carbonitrile
- 1H-Pyrrole-2-carbonitrile,1,4,5-trimethyl-(9CI)
- 1,4,5-TRIMETHYL-1H-IMIDAZOLE-2-CARBALDEHYDE
- 1,4,5-trimethylimidazole-2-aldehyde
- 1,4,5-Trimethylimidazole-2-carboxaldehyde
- 1,4,5-trimethylimidazole-2-carboxyaldehyde
- 1,4,5-Trimethylpyrrol-2-carbonitril
- 1,4,5-trimethyl-pyrrole-2-carbonitrile
- AK-33843
- ALBB-015234
- FT-0083478
- KB-10485
- 70319-58-3
- SCHEMBL13735112
- DB-268155
- 1H-PYRROLE-2-CARBONITRILE, 1,4,5-TRIMETHYL-
-
- Inchi： 1S/C8H10N2/c1-6-4-8(5-9)10(3)7(6)2/h4H,1-3H3
- InChI Key： NCPKEUGVAYKKGH-UHFFFAOYSA-N
- SMILES： N1(C)C(C#N)=CC(C)=C1C
Computed Properties
- Exact Mass: 134.084398327g/mol
- Monoisotopic Mass: 134.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 167
- 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: 1.5
- Topological Polar Surface Area: 28.7?2
1,4,5-trimethyl-1h-pyrrole-2-carbonitrile Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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