Cas no 4345-52-2 (1,4-diazocane-2,5-dione)
1,4-diazocane-2,5-dione structure
Product Name:1,4-diazocane-2,5-dione
CAS No:4345-52-2
MF:C6H10N2O2
MW:142.155801296234
CID:2065985
PubChem ID:44584283
Update Time:2025-04-21
1,4-diazocane-2,5-dione Chemical and Physical Properties
Names and Identifiers
-
- 1,4-diazocane-2,5-dione
- cyclo-(glycyl-gamma-aminobutyryl)
- AKOS006355651
- CHEMBL503369
- CHEBI:225840
- DTXSID601299373
- Hexahydro-1,4-diazocine-2,5-dione
- SCHEMBL16431244
- 4345-52-2
-
- Inchi： 1S/C6H10N2O2/c9-5-2-1-3-7-6(10)4-8-5/h1-4H2,(H,7,10)(H,8,9)
- InChI Key： REYFUBFBDNTSBI-UHFFFAOYSA-N
- SMILES： O=C1CCCNC(CN1)=O
Computed Properties
- Exact Mass: 142.074227566g/mol
- Monoisotopic Mass: 142.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 156
- 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
- Topological Polar Surface Area: 58.2?2
1,4-diazocane-2,5-dione Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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