Cas no 104815-66-9 (1H-Pyrrole-1-ethanol, a-methyl-)
104815-66-9 structure
Product Name:1H-Pyrrole-1-ethanol, a-methyl-
CAS No:104815-66-9
MF:C7H11NO
MW:125.168341875076
CID:126470
PubChem ID:22363419
Update Time:2025-04-18
1H-Pyrrole-1-ethanol, a-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-ethanol, a-methyl-
- 1H-Pyrrole-1-ethanol,alpha-methyl-(9CI)
- 1-pyrrol-1-ylpropan-2-ol
- UJMFUOHZAQFYCK-UHFFFAOYSA-N
- 104815-66-9
- AKOS008965244
- SCHEMBL7991895
- 1-(1-pyrrolyl)propan-2-ol
-
- Inchi： 1S/C7H11NO/c1-7(9)6-8-4-2-3-5-8/h2-5,7,9H,6H2,1H3
- InChI Key： UJMFUOHZAQFYCK-UHFFFAOYSA-N
- SMILES： OC(C)CN1C=CC=C1
Computed Properties
- Exact Mass: 125.08413
- Monoisotopic Mass: 125.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 79
- 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
- XLogP3: 0.3
- Topological Polar Surface Area: 25.2?2
Experimental Properties
- PSA: 25.16
1H-Pyrrole-1-ethanol, a-methyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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