Cas no 861596-94-3 (1-Imidazolidinecarboxylicacid, 2,5-dioxo-, ethyl ester)
861596-94-3 structure
Product Name:1-Imidazolidinecarboxylicacid, 2,5-dioxo-, ethyl ester
CAS No:861596-94-3
MF:C6H8N2O4
MW:172.138721466064
CID:718359
Update Time:2024-01-31
1-Imidazolidinecarboxylicacid, 2,5-dioxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1-Imidazolidinecarboxylicacid, 2,5-dioxo-, ethyl ester
- Hydantoin, 3-carbethoxy- (1CI)
- Hydantoin, 3-carbethoxy- (1CI)
- ethyl 2,5-dioxoimidazolidine-1-carboxylate
- 1-Imidazolidinecarboxylic acid, 2,5-dioxo-, ethyl ester
-
- Inchi： 1S/C6H8N2O4/c1-2-12-6(11)8-4(9)3-7-5(8)10/h2-3H2,1H3,(H,7,10)
- InChI Key： NRECKSQDATVLLO-UHFFFAOYSA-N
- SMILES： C1(=O)N(C(OCC)=O)C(=O)CN1
Computed Properties
- Exact Mass: 172.048
- Monoisotopic Mass: 172.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 238
- 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
- Topological Polar Surface Area: 75.7A^2
Experimental Properties
- Density: 1.400±0.06 g/cm3(Predicted)
- Melting Point: 134 °C
- pka: 7.13±0.70(Predicted)
1-Imidazolidinecarboxylicacid, 2,5-dioxo-, ethyl ester Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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