Cas no 832103-72-7 (1,15-Dioxa-5,8,11-triazacyclononadecane-6,10-dione)
832103-72-7 structure
Product Name:1,15-Dioxa-5,8,11-triazacyclononadecane-6,10-dione
CAS No:832103-72-7
MF:C14H27N3O4
MW:301.381883859634
CID:676361
PubChem ID:12997863
Update Time:2025-04-19
1,15-Dioxa-5,8,11-triazacyclononadecane-6,10-dione Chemical and Physical Properties
Names and Identifiers
-
- 1,15-Dioxa-5,8,11-triazacyclononadecane-6,10-dione
- DTXSID80514610
- 832103-72-7
-
- Inchi： 1S/C14H27N3O4/c18-13-11-15-12-14(19)17-6-4-10-21-8-2-1-7-20-9-3-5-16-13/h15H,1-12H2,(H,16,18)(H,17,19)
- InChI Key： NTEDGLLKQFWPOX-UHFFFAOYSA-N
- SMILES： O1CCCNC(CNCC(NCCCOCCCC1)=O)=O
Computed Properties
- Exact Mass: 301.20015635g/mol
- Monoisotopic Mass: 301.20015635g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 272
- 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: -0.6
- Topological Polar Surface Area: 88.7?2
1,15-Dioxa-5,8,11-triazacyclononadecane-6,10-dione Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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