Cas no 36067-73-9 (4H-Oxazolo[4,5-d]azepin-2-amine,6-ethyl-5,6,7,8-tetrahydro-)
36067-73-9 structure
Product Name:4H-Oxazolo[4,5-d]azepin-2-amine,6-ethyl-5,6,7,8-tetrahydro-
4H-Oxazolo[4,5-d]azepin-2-amine,6-ethyl-5,6,7,8-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Oxazolo[4,5-d]azepin-2-amine,6-ethyl-5,6,7,8-tetrahydro-
- 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine
- AZEPEXOLE
- 2-Amino-6-ethyl-5,6,7,8-tetrahydro-4H-oxazolo(4,5-d)azepine
- 4H-oxazolo(4,5-d)azepin-2-amine,6-ethyl-5,6,7,8-tetrahydro
- 4H-Oxazolo(4,5-d)azepin-2-amine,6-ethyl-5,6,7,8-tetrahydro-,dihydrochloride
- 6-ethyl-5,6,7,8-tetrahydro-4h-oxazolo[4,5-d]azepin-2-amine
- Azepexol [INN-Spanish]
- Azepexolum
- Azepexolum [INN-Latin]
- azepoxol
- 36067-73-9
- NCGC00015131-04
- CHEMBL149616
- PDSP1_000622
- Azepexole [INN:BAN]
- NSC_169743
- 4H-Oxazolo(4,5-d)azepin-2-amine, 6-ethyl-5,6,7,8-tetrahydro-, dihydrochloride
- Lopac0_000177
- Azepexol
- AZEPEXOLE [MART.]
- CAS_128-37-0
- PDSP1_000180
- FT-0692874
- SDCCGSBI-0050165.P002
- 4H-oxazolo(4,5-d)azepin-2-amine, 6-ethyl-5,6,7,8-tetrahydro-
- DGB112538O
- PDSP2_000619
- BDBM85676
- NCGC00015131-08
- SCHEMBL563453
- UNII-DGB112538O
- PDSP2_000179
- NCGC00015131-01
- NCGC00162081-01
- Lopac-B-161
- AKOS006273695
- DTXSID1048419
- AZEPEXOLE [INN]
- CCG-204272
- NCGC00015131-02
- BHT-933
- Q27276391
- NCGC00015131-03
- Azepexol (INN-Spanish)
- DTXCID3028392
- AZEPEXOLE (MART.)
- Azepexolum (INN-Latin)
- 2-Amino-6-ethyl-4,5,7,8-tetrahydro-6H-oxazolo(5,4-d)azepine dihydrochloride
-
- Inchi: 1S/C9H15N3O/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7/h2-6H2,1H3,(H2,10,11)
- InChI Key: ZNXAJGZPUQOEDZ-UHFFFAOYSA-N
- SMILES: O1C(N)=NC2=C1CCN(CC)CC2
Computed Properties
- Exact Mass: 181.12200
- Monoisotopic Mass: 181.121512
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 176
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 0.8
- Topological Polar Surface Area: 55.3
Experimental Properties
- Density: 1.126
- Boiling Point: 330.9°Cat760mmHg
- Flash Point: 153.9°C
- Refractive Index: 1.54
- PSA: 55.29000
- LogP: 1.19640
4H-Oxazolo[4,5-d]azepin-2-amine,6-ethyl-5,6,7,8-tetrahydro- Related Literature
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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