Cas no 175414-76-3 (Ethyl 2,4-diamino-4-oxobutanoate dihydrochloride)
175414-76-3 structure
Product Name:Ethyl 2,4-diamino-4-oxobutanoate dihydrochloride
CAS No:175414-76-3
MF:C6H14Cl2N2O3
MW:233.092959880829
CID:112037
PubChem ID:2826606
Update Time:2025-04-18
Ethyl 2,4-diamino-4-oxobutanoate dihydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 2,4-diamino-4-oxobutanoate dihydrochloride
- L-Asparagine, ethylester, dihydrochloride (9CI)
- DL-ASPARAGINE ETHYL ESTER DIHYDROCHLORIDE
- 282093-35-0
- ethyl 2,4-diamino-4-oxobutanoate;dihydrochloride
- 175414-76-3
- ethyl 2, 4-diamino-4-oxobutanoate;dihydrochloride
- DTXSID30385094
- ETHYL 2-AMINO-3-CARBAMOYLPROPANOATE DIHYDROCHLORIDE
-
- Inchi： 1S/C6H12N2O3.2ClH/c1-2-11-6(10)4(7)3-5(8)9;;/h4H,2-3,7H2,1H3,(H2,8,9);2*1H
- InChI Key： COUJRFGPJWMMGC-UHFFFAOYSA-N
- SMILES： Cl.Cl.O(CC)C(C(CC(N)=O)N)=O
Computed Properties
- Exact Mass: 232.03832
- Monoisotopic Mass: 232.0381477g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 158
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 95.4?2
Experimental Properties
- PSA: 95.41
Ethyl 2,4-diamino-4-oxobutanoate dihydrochloride Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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