Cas no 13054-49-4 (Cyclooct[c]isoxazol-3-amine,4,5,8,9-tetrahydro-)
![Cyclooct[c]isoxazol-3-amine,4,5,8,9-tetrahydro- structure](https://ossimg.kuujia.com/scimg/13500/13054-49-4x500.png)
13054-49-4 structure
Product Name:Cyclooct[c]isoxazol-3-amine,4,5,8,9-tetrahydro-
CAS No:13054-49-4
MF:C9H12N2O
MW:164.204381942749
CID:119245
PubChem ID:5370190
Update Time:2025-04-18
Cyclooct[c]isoxazol-3-amine,4,5,8,9-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- Cyclooct[c]isoxazol-3-amine,4,5,8,9-tetrahydro-
- Cyclooct[c]isoxazole, 3-amino-4,5,8,9-tetrahydro- (7CI,8CI)
- 13054-49-4
- 4,5,8,9-Tetrahydrocycloocta[c]isoxazol-3-amine
- 4,5,8,9-Tetrahydrocycloocta[c]isoxazol-3-ylamine #
- VYOVLIPTRLLMFI-UPHRSURJSA-N
- (6Z)-4,5,8,9-tetrahydrocycloocta[c][1,2]oxazol-3-amine
- 3-Amino-4,5,8,9-tetrahydrocyclooct(c)isoxazole
-
- Inchi： 1S/C9H12N2O/c10-9-7-5-3-1-2-4-6-8(7)11-12-9/h1-2H,3-6,10H2/b2-1-
- InChI Key： VYOVLIPTRLLMFI-UPHRSURJSA-N
- SMILES： O1C(=C2C(CCC=CCC2)=N1)N |c:6|
Computed Properties
- Exact Mass: 164.09506
- Monoisotopic Mass: 164.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.05
Cyclooct[c]isoxazol-3-amine,4,5,8,9-tetrahydro- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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