Cas no 58121-02-1 (1H-Pyrrole-3-carbonitrile, 2-amino-5-ethyl-4-methyl-)
58121-02-1 structure
Product Name:1H-Pyrrole-3-carbonitrile, 2-amino-5-ethyl-4-methyl-
CAS No:58121-02-1
MF:C8H11N3
MW:149.193041086197
CID:343043
PubChem ID:12234064
Update Time:2025-04-19
1H-Pyrrole-3-carbonitrile, 2-amino-5-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carbonitrile, 2-amino-5-ethyl-4-methyl-
- 2-amino-5-ethyl-4-methyl-1H-pyrrole-3-carbonitrile
- 58121-02-1
- AKOS006339037
- DTXSID20481655
-
- Inchi： 1S/C8H11N3/c1-3-7-5(2)6(4-9)8(10)11-7/h11H,3,10H2,1-2H3
- InChI Key： JKKVLDYFUGPDDV-UHFFFAOYSA-N
- SMILES： N1C(=C(C#N)C(C)=C1CC)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-5-ethyl-4-methyl- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
58121-02-1 (1H-Pyrrole-3-carbonitrile, 2-amino-5-ethyl-4-methyl-) Related Products
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