Cas no 65972-75-0 (1H-Azepine, 1-(4,5-dihydro-2-oxazolyl)hexahydro-)
65972-75-0 structure
Product Name:1H-Azepine, 1-(4,5-dihydro-2-oxazolyl)hexahydro-
CAS No:65972-75-0
MF:C9H16N2O
MW:168.236142158508
CID:397028
PubChem ID:21392993
Update Time:2025-04-19
1H-Azepine, 1-(4,5-dihydro-2-oxazolyl)hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Azepine, 1-(4,5-dihydro-2-oxazolyl)hexahydro-
- 2-(azepan-1-yl)-4,5-dihydro-1,3-oxazole
- DTXSID10612911
- 65972-75-0
- 1-(4,5-Dihydro-1,3-oxazol-2-yl)azepane
- SCHEMBL11742221
-
- Inchi： 1S/C9H16N2O/c1-2-4-7-11(6-3-1)9-10-5-8-12-9/h1-8H2
- InChI Key： BLLGNFPOFYJWTH-UHFFFAOYSA-N
- SMILES： O1CCN=C1N1CCCCCC1
Computed Properties
- Exact Mass: 168.12638
- Monoisotopic Mass: 168.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 171
- 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
- Topological Polar Surface Area: 24.8?2
Experimental Properties
- PSA: 24.83
1H-Azepine, 1-(4,5-dihydro-2-oxazolyl)hexahydro- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
65972-75-0 (1H-Azepine, 1-(4,5-dihydro-2-oxazolyl)hexahydro-) Related Products
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