Cas no 87212-89-3 (Trimethylazanium;acetate;chloride)
87212-89-3 structure
Product Name:Trimethylazanium;acetate;chloride
CAS No:87212-89-3
MF:C5H13ClNO2
MW:154.615220785141
CID:2809961
PubChem ID:20389734
Update Time:2025-04-21
Trimethylazanium;acetate;chloride Chemical and Physical Properties
Names and Identifiers
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- 87212-89-3
- DTXSID70826491
- trimethylazanium;acetate;chloride
- Trimethylazanium;acetate;chloride
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- Inchi： 1S/C3H9N.C2H4O2.ClH/c1-4(2)3;1-2(3)4;/h1-3H3;1H3,(H,3,4);1H/p-1
- InChI Key： KOOPZSJDWQGAPW-UHFFFAOYSA-M
- SMILES： [Cl-].[O-]C(C)=O.[NH+](C)(C)C
Computed Properties
- Exact Mass: 154.0634814Da
- Monoisotopic Mass: 154.0634814Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 33.5
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44.6?2
Trimethylazanium;acetate;chloride Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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