Cas no 5860-61-7 (2,5-Oxazolidinedione,4-(4-aminobutyl)-)
5860-61-7 structure
Product Name:2,5-Oxazolidinedione,4-(4-aminobutyl)-
CAS No:5860-61-7
MF:C7H12N2O3
MW:172.181781768799
CID:377344
PubChem ID:110721
Update Time:2025-04-19
2,5-Oxazolidinedione,4-(4-aminobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Oxazolidinedione,4-(4-aminobutyl)-
- 4-(4-aminobutyl)-1,3-oxazolidine-2,5-dione
- 4-(4-aminobutyl)oxazolidine-2,5-dione
- DTXSID30974149
- 5860-61-7
- 4-(4-Aminobutyl)-2-hydroxy-1,3-oxazol-5(4H)-one
- EINECS 227-506-6
- NS00047313
-
- Inchi： 1S/C7H12N2O3/c8-4-2-1-3-5-6(10)12-7(11)9-5/h5H,1-4,8H2,(H,9,11)
- InChI Key： FCATYYOPYTXOIZ-UHFFFAOYSA-N
- SMILES： O1C(NC(C1=O)CCCCN)=O
Computed Properties
- Exact Mass: 172.08486
- Monoisotopic Mass: 172.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: -0.3
- Topological Polar Surface Area: 81.4?2
Experimental Properties
- PSA: 81.42
2,5-Oxazolidinedione,4-(4-aminobutyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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