Cas no 121643-38-7 (1H-Pyrrole-2-carboxaldehyde,5-butyl-)
121643-38-7 structure
Product Name:1H-Pyrrole-2-carboxaldehyde,5-butyl-
CAS No:121643-38-7
MF:C9H13NO
MW:151.205622434616
CID:104842
PubChem ID:14226487
Update Time:2025-04-18
1H-Pyrrole-2-carboxaldehyde,5-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxaldehyde,5-butyl-
- 1H-Pyrrole-2-carboxaldehyde, 5-butyl- (9CI)
- 121643-38-7
- 5-butyl-1H-pyrrole-2-carbaldehyde
- SCHEMBL9387973
-
- Inchi： 1S/C9H13NO/c1-2-3-4-8-5-6-9(7-11)10-8/h5-7,10H,2-4H2,1H3
- InChI Key： IDKUCMMWOOJXRI-UHFFFAOYSA-N
- SMILES： O=CC1=CC=C(CCCC)N1
Computed Properties
- Exact Mass: 150.09196
- Monoisotopic Mass: 151.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 125
- 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: 2.2
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- PSA: 29.96
1H-Pyrrole-2-carboxaldehyde,5-butyl- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
121643-38-7 (1H-Pyrrole-2-carboxaldehyde,5-butyl-) Related Products
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