Cas no 5044-19-9 (1H-Pyrrole,1-ethyl-2,5-dimethyl-)
5044-19-9 structure
Product Name:1H-Pyrrole,1-ethyl-2,5-dimethyl-
1H-Pyrrole,1-ethyl-2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole,1-ethyl-2,5-dimethyl-
- 1-ethyl-2,5-dimethyl-1H-pyrrole
- 1-ethyl-2,5-dimethylpyrrole
- 1H-Pyrrole, 1-ethyl-2,5-dimethyl-
- EINECS 225-738-2
- WIXUFIYVGRNTDD-UHFFFAOYSA-N
- SCHEMBL6760708
- 5044-19-9
- Pyrrole, 1-ethyl-2,5-dimethyl
- NS00044563
- InChI=1/C8H13N/c1-4-9-7(2)5-6-8(9)3/h5-6H,4H2,1-3H
- AKOS000101147
- 2,5-dimethyl-1-ethylpyrrole
- DTXSID2063688
-
- Inchi： 1S/C8H13N/c1-4-9-7(2)5-6-8(9)3/h5-6H,4H2,1-3H3
- InChI Key： WIXUFIYVGRNTDD-UHFFFAOYSA-N
- SMILES： N1(CC)C(C)=CC=C1C
Computed Properties
- Exact Mass: 123.10489
- Monoisotopic Mass: 123.104799
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 80.6
- 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
- Topological Polar Surface Area: 4.9
- XLogP3: 1.8
Experimental Properties
- Density: 0.87
- Boiling Point: 184.1°Cat760mmHg
- Flash Point: 65.2°C
- Refractive Index: 1.484
- PSA: 4.93
1H-Pyrrole,1-ethyl-2,5-dimethyl- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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