Cas no 165385-48-8 (2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,4-dimethyl-)
165385-48-8 structure
Product Name:2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,4-dimethyl-
CAS No:165385-48-8
MF:C9H17NO
MW:155.237382650375
CID:110603
PubChem ID:18428647
Update Time:2025-04-18
2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,4-dimethyl-
- 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,4-dimethyl-(9CI)
- SCHEMBL7618120
- 165385-48-8
- 7-methoxy-3,4-dimethyl-3,4,5,6-tetrahydro-2H-azepine
- XHGYCMUOWVFXGN-UHFFFAOYSA-N
- 3,4,5,6-tetrahydro-7-methoxy-3,4-dimethyl-2h-azepine
- 2H-AZEPINE, 3,4,5,6-TETRAHYDRO-7-METHOXY-3,4-DIMETHYL-
- DB-270209
-
- Inchi： 1S/C9H17NO/c1-7-4-5-9(11-3)10-6-8(7)2/h7-8H,4-6H2,1-3H3
- InChI Key： XHGYCMUOWVFXGN-UHFFFAOYSA-N
- SMILES： O(C)C1CCC(C)C(C)CN=1
Computed Properties
- Exact Mass: 155.13111
- Monoisotopic Mass: 155.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 154
- 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: 1.7
- Topological Polar Surface Area: 21.6?2
Experimental Properties
- PSA: 21.59
2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-3,4-dimethyl- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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