Cas no 6045-46-1 (3-amino-4-carboxy-2,2,5,5-tetramethylpyrrolidin-1-olate)
6045-46-1 structure
Product Name:3-amino-4-carboxy-2,2,5,5-tetramethylpyrrolidin-1-olate
CAS No:6045-46-1
MF:C9H17N2O3
MW:201.242882490158
CID:1620357
PubChem ID:5237174
Update Time:2025-04-21
3-amino-4-carboxy-2,2,5,5-tetramethylpyrrolidin-1-olate Chemical and Physical Properties
Names and Identifiers
-
- 3-amino-4-carboxy-2,2,5,5-tetramethylpyrrolidin-1-olate
- 4-amino-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3-carboxylic acid
- 6045-46-1
- DTXSID00412260
-
- Inchi： 1S/C9H17N2O3/c1-8(2)5(7(12)13)6(10)9(3,4)11(8)14/h5-6H,10H2,1-4H3,(H,12,13)/q-1
- InChI Key： PCQWWOOKJPTMKH-UHFFFAOYSA-N
- SMILES： [O-]N1C(C)(C)C(C(C(=O)O)C1(C)C)N
Computed Properties
- Exact Mass: 201.12401
- Monoisotopic Mass: 201.124
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 89.6A^2
- XLogP3: -2.4
Experimental Properties
- Boiling Point: 342.8°C at 760 mmHg
- Flash Point: 161.1°C
- PSA: 89.62
3-amino-4-carboxy-2,2,5,5-tetramethylpyrrolidin-1-olate Related Literature
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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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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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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