Cas no 749791-73-9 (4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-(9CI))
749791-73-9 structure
Product Name:4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-(9CI)
CAS No:749791-73-9
MF:C9H17NO
MW:155.237382650375
CID:561448
Update Time:2023-03-29
4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-
- 4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-(9CI)
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- Inchi: 1S/C9H17NO/c1-8(2)10-6-3-4-9(11)5-7-10/h8H,3-7H2,1-2H3
- InChI Key: XVKDTWAXFZTAKU-UHFFFAOYSA-N
- SMILES: N1(C(C)C)CCCC(=O)CC1
Computed Properties
- Exact Mass: 155.131
- Monoisotopic Mass: 155.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 143
- 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
- Topological Polar Surface Area: 20.3A^2
4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-(9CI) Related Literature
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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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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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