Cas no 589-33-3 (1H-Pyrrole, 1-butyl-)
1H-Pyrrole, 1-butyl- structure
Product Name:1H-Pyrrole, 1-butyl-
1H-Pyrrole, 1-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 1-butyl-
- 1-Butyl-1H-pyrrole
- 1-butylpyrrole
- 1-n-Butylpyrrole
- N-Butylpyrrole
- Pyrrole, 1-butyl-
- Pyrrole, 1-n-butyl-
- DTXSID00207633
- NSC8456
- Q27278687
- NSC 8456
- 589-33-3
- 1-Butyl-1H-pyrrole #
- SCHEMBL562486
- NSC-8456
- EINECS 209-642-8
- NS00034043
- G396OC7TFD
- AKOS008965177
- IIYSNNBEZBAQCQ-UHFFFAOYSA-N
- UNII-G396OC7TFD
-
- MDL： MFCD12187082
- Inchi： 1S/C8H13N/c1-2-3-6-9-7-4-5-8-9/h4-5,7-8H,2-3,6H2,1H3
- InChI Key： IIYSNNBEZBAQCQ-UHFFFAOYSA-N
- SMILES： N1(C=CC=C1)CCCC
Computed Properties
- Exact Mass: 123.10489
- Monoisotopic Mass: 123.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 65
- 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: 4.9A^2
- XLogP3: 1.8
Experimental Properties
- Density: 0.8747
- Melting Point: -66.1°C (estimate)
- Boiling Point: 175.67°C (estimate)
- Flash Point: 56.9°C
- Refractive Index: 1.4727
- PSA: 4.93
1H-Pyrrole, 1-butyl- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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