Cas no 159326-77-9 (1-amino-5-ethyl-1H-Pyrrole-2-carbonitrile)
159326-77-9 structure
Product Name:1-amino-5-ethyl-1H-Pyrrole-2-carbonitrile
CAS No:159326-77-9
MF:C7H9N3
MW:135.166460752487
CID:1107017
PubChem ID:10261141
Update Time:2025-04-20
1-amino-5-ethyl-1H-Pyrrole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1-amino-5-ethyl-1H-Pyrrole-2-carbonitrile
- 1-amino-5-ethylpyrrole-2-carbonitrile
- 159326-77-9
- DTXSID001270921
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- Inchi： 1S/C7H9N3/c1-2-6-3-4-7(5-8)10(6)9/h3-4H,2,9H2,1H3
- InChI Key： VJAACKIEUKVEAU-UHFFFAOYSA-N
- SMILES： N1(C(C#N)=CC=C1CC)N
Computed Properties
- Exact Mass: 135.079647300g/mol
- Monoisotopic Mass: 135.079647300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 158
- 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: 1.9
- Topological Polar Surface Area: 54.7?2
1-amino-5-ethyl-1H-Pyrrole-2-carbonitrile Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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