Cas no 117068-04-9 (1H-Pyrrole-2-carboxaldehyde,3-(1-methylpropyl)-)
117068-04-9 structure
Product Name:1H-Pyrrole-2-carboxaldehyde,3-(1-methylpropyl)-
CAS No:117068-04-9
MF:C9H13NO
MW:151.205622434616
CID:131473
PubChem ID:45083727
Update Time:2025-04-19
1H-Pyrrole-2-carboxaldehyde,3-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-2-carboxaldehyde,3-(1-methylpropyl)-
- 1H-Pyrrole-2-carboxaldehyde, 3-(1-methylpropyl)- (9CI)
- 1H-Pyrrole-2-carboxaldehyde,3-(1-methylpropyl)-(9ci)
- 3-(sec-Butyl)-1H-pyrrole-2-carbaldehyde
- 117068-04-9
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- Inchi： 1S/C9H13NO/c1-3-7(2)8-4-5-10-9(8)6-11/h4-7,10H,3H2,1-2H3
- InChI Key： PCGGFDBIUABDAZ-UHFFFAOYSA-N
- SMILES： O=CC1=C(C=CN1)C(C)CC
Computed Properties
- Exact Mass: 150.09196
- Monoisotopic Mass: 151.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 136
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.9A^2
- XLogP3: 2.2
Experimental Properties
- PSA: 29.96
1H-Pyrrole-2-carboxaldehyde,3-(1-methylpropyl)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
117068-04-9 (1H-Pyrrole-2-carboxaldehyde,3-(1-methylpropyl)-) Related Products
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