Cas no 62538-62-9 (Butanoic acid, 4,4'-[1,2-ethanediylbis(methylimino)]bis[4-oxo-)
![Butanoic acid, 4,4'-[1,2-ethanediylbis(methylimino)]bis[4-oxo- structure](https://ossimg.kuujia.com/scimg/63000/62538-62-9x500.png)
62538-62-9 structure
Product Name:Butanoic acid, 4,4'-[1,2-ethanediylbis(methylimino)]bis[4-oxo-
CAS No:62538-62-9
MF:C12H20N2O6
MW:288.297003746033
CID:441159
PubChem ID:12331576
Update Time:2025-04-19
Butanoic acid, 4,4'-[1,2-ethanediylbis(methylimino)]bis[4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4,4'-[1,2-ethanediylbis(methylimino)]bis[4-oxo-
- 4-[2-[3-carboxypropanoyl(methyl)amino]ethyl-methylamino]-4-oxobutanoic acid
- DTXSID00490624
- SCHEMBL4508931
- 4,4'-[Ethane-1,2-diylbis(methylazanediyl)]bis(4-oxobutanoic acid)
- 62538-62-9
-
- Inchi： 1S/C12H20N2O6/c1-13(9(15)3-5-11(17)18)7-8-14(2)10(16)4-6-12(19)20/h3-8H2,1-2H3,(H,17,18)(H,19,20)
- InChI Key： VDVJDWASJJNMQI-UHFFFAOYSA-N
- SMILES： O=C(CCC(=O)O)N(C)CCN(C)C(CCC(=O)O)=O
Computed Properties
- Exact Mass: 288.1322
- Monoisotopic Mass: 288.13213636g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 9
- Complexity: 346
- 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: -1.9
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 115.22
Butanoic acid, 4,4'-[1,2-ethanediylbis(methylimino)]bis[4-oxo- Related Literature
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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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