Cas no 46121-55-5 (N-(beta-acetoxyethyl)pyridinium)
46121-55-5 structure
Product Name:N-(beta-acetoxyethyl)pyridinium
CAS No:46121-55-5
MF:C9H12NO2
MW:166.197082519531
CID:930213
PubChem ID:193833
Update Time:2025-04-19
N-(beta-acetoxyethyl)pyridinium Chemical and Physical Properties
Names and Identifiers
-
- N-(beta-acetoxyethyl)pyridinium
- 2-pyridin-1-ium-1-ylethyl acetate
- PYACH
- Pyridinium, 1-(2-(acetyloxy)ethyl)-
- SCHEMBL9543168
- DTXSID40196734
- CHEMBL3306365
- 46121-55-5
-
- Inchi： 1S/C9H12NO2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3/q+1
- InChI Key： LAWNEQSYVWOOLN-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC[N+]1C=CC=CC=1
Computed Properties
- Exact Mass: 166.086803626g/mol
- Monoisotopic Mass: 166.086803626g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 142
- 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: 0.8
- Topological Polar Surface Area: 30.2?2
N-(beta-acetoxyethyl)pyridinium Related Literature
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
46121-55-5 (N-(beta-acetoxyethyl)pyridinium) Related Products
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