Cas no 1006-26-4 (1H-Pyrrole-2-carboxaldehyde, 3,4-diethyl-)
1006-26-4 structure
Product Name:1H-Pyrrole-2-carboxaldehyde, 3,4-diethyl-
CAS No:1006-26-4
MF:C9H13NO
MW:151.205622434616
CID:1126120
PubChem ID:359352
Update Time:2025-04-20
1H-Pyrrole-2-carboxaldehyde, 3,4-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxaldehyde, 3,4-diethyl-
- 3,4-Diethyl-1H-pyrrole-2-carbaldehyde
- 3,4-Diethyl-2-formylpyrrole
- 2-Formyl-3,4-diethylpyrrole
- 3,4-Diethylpyrrole-2-carboxaldehyde
- NSC 620163
- 3,4-Diethylpyrrole-2-carbaldehyde
- NSC-620163
- AUYWSUQOZBWQFZ-UHFFFAOYSA-N
- DB-365719
- 1006-26-4
- DTXSID70326880
- NSC620163
- SCHEMBL5540868
- AMY32097
-
- Inchi： 1S/C9H13NO/c1-3-7-5-10-9(6-11)8(7)4-2/h5-6,10H,3-4H2,1-2H3
- InChI Key： AUYWSUQOZBWQFZ-UHFFFAOYSA-N
- SMILES： O=CC1=C(CC)C(=CN1)CC
Computed Properties
- Exact Mass: 151.09979
- 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 : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- Density: 1.042
- Melting Point: 42-45 oC
- Boiling Point: 244 oC
- Flash Point: 107 oC
- PSA: 32.86
- LogP: 1.95200
1H-Pyrrole-2-carboxaldehyde, 3,4-diethyl- Related Literature
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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