Cas no 30989-20-9 (1,4,10-Trioxa-7,13-diazacyclopentadecane-8,12-dione)
30989-20-9 structure
Product Name:1,4,10-Trioxa-7,13-diazacyclopentadecane-8,12-dione
CAS No:30989-20-9
MF:C10H18N2O5
MW:246.260323047638
CID:1445500
PubChem ID:12678065
Update Time:2025-04-20
1,4,10-Trioxa-7,13-diazacyclopentadecane-8,12-dione Chemical and Physical Properties
Names and Identifiers
-
- 1,4,10-Trioxa-7,13-diazacyclopentadecane-8,12-dione
- 1,4,10-trioxa-7,13-diaza-cyclopentadecane-8,12-dione
- 5,9-dioxo-1,7,13-trioxa-4,10-diazacyclopentadecane
- VNJRSWBKYXDKQZ-UHFFFAOYSA-N
- DTXSID70506584
- SCHEMBL11581022
- 5,9-dioxo-1,7,13-trioxa-4,10-diaza-cyclopentadecane
- 30989-20-9
-
- Inchi： 1S/C10H18N2O5/c13-9-7-17-8-10(14)12-2-4-16-6-5-15-3-1-11-9/h1-8H2,(H,11,13)(H,12,14)
- InChI Key： VNJRSWBKYXDKQZ-UHFFFAOYSA-N
- SMILES： O1CCOCCNC(COCC(NCC1)=O)=O
Computed Properties
- Exact Mass: 246.12200
- Monoisotopic Mass: 246.12157168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 223
- 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: -1.8
- Topological Polar Surface Area: 85.9?2
Experimental Properties
- PSA: 92.87000
- LogP: -1.16600
1,4,10-Trioxa-7,13-diazacyclopentadecane-8,12-dione Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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