Cas no 61710-04-1 (1,4-Oxazepine, 7-ethoxyhexahydro-4-methyl-)
61710-04-1 structure
Product Name:1,4-Oxazepine, 7-ethoxyhexahydro-4-methyl-
CAS No:61710-04-1
MF:C8H17NO2
MW:159.2260825634
CID:469012
PubChem ID:12301233
Update Time:2025-04-19
1,4-Oxazepine, 7-ethoxyhexahydro-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Oxazepine, 7-ethoxyhexahydro-4-methyl-
- 7-ethoxy-4-methyl-1,4-oxazepane
- DTXSID50486471
- 61710-04-1
-
- Inchi： 1S/C8H17NO2/c1-3-10-8-4-5-9(2)6-7-11-8/h8H,3-7H2,1-2H3
- InChI Key： GUGWHESYSFKKES-UHFFFAOYSA-N
- SMILES： O1CCN(C)CCC1OCC
Computed Properties
- Exact Mass: 159.12601
- Monoisotopic Mass: 159.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 108
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 21.7?2
Experimental Properties
- PSA: 21.7
1,4-Oxazepine, 7-ethoxyhexahydro-4-methyl- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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