Cas no 488-92-6 (1H-Pyrrole,3-ethyl-4-methyl-)
1H-Pyrrole,3-ethyl-4-methyl- structure
Product Name:1H-Pyrrole,3-ethyl-4-methyl-
1H-Pyrrole,3-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole,3-ethyl-4-methyl-
- 3-Ethyl-4-methyl-1H-pyrrole
- 3-Ethyl-4-methylpyrrole
- Opsopyrrole
- DTXSID201310444
- AKOS006351678
- 3-ethyl-4-methyl-pyrrole
- 488-92-6
- Opsopyrrol
- 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLETHER
- SCHEMBL6762874
-
- Inchi： 1S/C7H11N/c1-3-7-5-8-4-6(7)2/h4-5,8H,3H2,1-2H3
- InChI Key： LJHJBIWBAPQTFM-UHFFFAOYSA-N
- SMILES： N1C=C(C)C(=C1)CC
Computed Properties
- Exact Mass: 109.08923
- Monoisotopic Mass: 109.089149355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 70.8
- 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: 15.8?2
Experimental Properties
- Density: 0.9059
- Melting Point: 1.5°C
- Boiling Point: 180.58°C (estimate)
- Flash Point: 64.2°C
- Refractive Index: 1.4913
- PSA: 15.79
1H-Pyrrole,3-ethyl-4-methyl- Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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