Cas no 786584-56-3 (4H-Azepin-4-one,hexahydro-1-propyl-)
786584-56-3 structure
Product Name:4H-Azepin-4-one,hexahydro-1-propyl-
CAS No:786584-56-3
MF:C9H17NO
MW:155.237382650375
CID:554535
Update Time:2022-09-23
4H-Azepin-4-one,hexahydro-1-propyl- Chemical and Physical Properties
Names and Identifiers
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- 4H-Azepin-4-one,hexahydro-1-propyl-
- 4H-Azepin-4-one,hexahydro-1-propyl-(9CI)
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- Inchi: 1S/C9H17NO/c1-2-6-10-7-3-4-9(11)5-8-10/h2-8H2,1H3
- InChI Key: PTLBSSRFEQRYBI-UHFFFAOYSA-N
- SMILES: N1(CCC)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: 2
- Complexity: 134
- 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-propyl- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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