Cas no 2183-95-1 (3H-Azepine, 2-methoxy-)
3H-Azepine, 2-methoxy- structure
Product Name:3H-Azepine, 2-methoxy-
3H-Azepine, 2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Azepine, 2-methoxy-
- 2-methoxy-3H-azepine
- NSC315272
- IMMKFDNSSMLDHB-UHFFFAOYSA-N
- NSC-315272
- methoxy 3h azepine
- DTXSID90317417
- 2183-95-1
- 2-Methoxy-3H-azepine #
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- Inchi： 1S/C7H9NO/c1-9-7-5-3-2-4-6-8-7/h2-4,6H,5H2,1H3
- InChI Key： IMMKFDNSSMLDHB-UHFFFAOYSA-N
- SMILES： O(C)C1CC=CC=CN=1
Computed Properties
- Exact Mass: 123.06847
- Monoisotopic Mass: 123.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 168
- 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: 1.1
- Topological Polar Surface Area: 21.6?2
Experimental Properties
- PSA: 21.59
3H-Azepine, 2-methoxy- Related Literature
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1. 3H-azepines and related systems. Part 2. The photolyses of aryl azides bearing electron-withdrawing substituentsRoger Purvis,Robert K. Smalley,Hans Suschitzky,Mohamed A. Alkhader J. Chem. Soc. Perkin Trans. 1 1984 249
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2. The photolysis of o-azidobenzoic acid derivatives: a practicable synthesis of 2-alkoxy-3-alkoxycarbonyl-3H-azepinesRoger Purvis,Robert K. Smalley,Winston A. Strachan,Hans Suschitzky J. Chem. Soc. Perkin Trans. 1 1978 191
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3. Triazines and related products. Part VIII. Potential irreversible chymotrypsin inhibitors: 3-alkyl-1,2,3-benzotriazin-4(3H)-ones and o-azidobenzamidesA. C. Mair,M. F. G. Stevens J. Chem. Soc. C 1971 2317
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4. 3H-azepines and related systems part 3. Mono- and bis- 2-alkoxy-3H-azepine-3-carboxylates and -3-carboxamides by photolysis of mono- and di-o-azidobenzoyl derivatives of glycols and diamines. Some acyclic crown ether analogues.Manouchehr Azadi-Ardakani,Salem M. Salem,Robert K. Smalley,Dalpat I. Patel J. Chem. Soc. Perkin Trans. 1 1985 1121
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5. Ring-expansion of azidobenzenesulphonamides and azidobenzamidesThomas B. Brown,Philip R. Lowe,Carl H. Schwalbe,Malcolm F. G. Stevens J. Chem. Soc. Perkin Trans. 1 1983 2485
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