Cas no 52224-44-9 (2H-Azepin-2-one, 7,7'-(1,4-butanediyl)bis[hexahydro-)
52224-44-9 structure
Product Name:2H-Azepin-2-one, 7,7'-(1,4-butanediyl)bis[hexahydro-
CAS No:52224-44-9
MF:C16H28N2O2
MW:280.405724525452
CID:336174
PubChem ID:54566887
Update Time:2025-04-19
2H-Azepin-2-one, 7,7'-(1,4-butanediyl)bis[hexahydro- Chemical and Physical Properties
Names and Identifiers
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- 7-[4-(7-oxoazepan-2-yl)butyl]azepan-2-one
- DTXSID80712255
- 7,7'-(Butane-1,4-diyl)di(azepan-2-one)
- 52224-44-9
- 2H-Azepin-2-one, 7,7'-(1,4-butanediyl)bis[hexahydro-
-
- Inchi： 1S/C16H28N2O2/c19-15-11-5-3-9-13(17-15)7-1-2-8-14-10-4-6-12-16(20)18-14/h13-14H,1-12H2,(H,17,19)(H,18,20)
- InChI Key： ZULPDMULCORSIC-UHFFFAOYSA-N
- SMILES： O=C1CCCCC(CCCCC2CCCCC(N2)=O)N1
Computed Properties
- Exact Mass: 280.215078140g/mol
- Monoisotopic Mass: 280.215078140g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 298
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 58.2?2
2H-Azepin-2-one, 7,7'-(1,4-butanediyl)bis[hexahydro- Related Literature
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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
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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