Cas no 58121-01-0 (1H-Pyrrole-3-carbonitrile, 2-amino-4-ethyl-5-methyl-)
58121-01-0 structure
Product Name:1H-Pyrrole-3-carbonitrile, 2-amino-4-ethyl-5-methyl-
CAS No:58121-01-0
MF:C8H11N3
MW:149.193041086197
CID:343044
PubChem ID:12234066
Update Time:2025-04-19
1H-Pyrrole-3-carbonitrile, 2-amino-4-ethyl-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carbonitrile, 2-amino-4-ethyl-5-methyl-
- 2-amino-4-ethyl-5-methyl-1H-pyrrole-3-carbonitrile
- AKOS006361990
- 58121-01-0
- DTXSID80481656
-
- Inchi： 1S/C8H11N3/c1-3-6-5(2)11-8(10)7(6)4-9/h11H,3,10H2,1-2H3
- InChI Key： CMYFQILCPKVHSF-UHFFFAOYSA-N
- SMILES： N1C(=C(C#N)C(CC)=C1C)N
Computed Properties
- Exact Mass: 149.09543
- Monoisotopic Mass: 149.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 181
- 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: 1.8
- Topological Polar Surface Area: 65.6?2
Experimental Properties
- PSA: 65.6
1H-Pyrrole-3-carbonitrile, 2-amino-4-ethyl-5-methyl- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
58121-01-0 (1H-Pyrrole-3-carbonitrile, 2-amino-4-ethyl-5-methyl-) Related Products
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