Cas no 71248-02-7 (1,4,7,10-Tetraazacyclotridecane-11,13-dione)
71248-02-7 structure
Product Name:1,4,7,10-Tetraazacyclotridecane-11,13-dione
CAS No:71248-02-7
MF:C9H18N4O2
MW:214.264821529388
CID:545825
PubChem ID:14048480
Update Time:2025-04-19
1,4,7,10-Tetraazacyclotridecane-11,13-dione Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7,10-Tetraazacyclotridecane-11,13-dione
- 1,4,7,10-tetrazacyclotridecane-11,13-dione
- 1,5,8,11-tetraazacyclotridecane-2,4-dione
- SCHEMBL577777
- DTXSID70555037
- 71248-02-7
- AKOS016035118
-
- Inchi： 1S/C9H18N4O2/c14-8-7-9(15)13-6-4-11-2-1-10-3-5-12-8/h10-11H,1-7H2,(H,12,14)(H,13,15)
- InChI Key： ZQRVBARHJUOJEV-UHFFFAOYSA-N
- SMILES： O=C1CC(NCCNCCNCCN1)=O
Computed Properties
- Exact Mass: 214.14314
- Monoisotopic Mass: 214.14297583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 198
- 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: -2.1
- Topological Polar Surface Area: 82.3?2
Experimental Properties
- PSA: 82.26
1,4,7,10-Tetraazacyclotridecane-11,13-dione Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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5. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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