Cas no 82560-06-3 (5-Isoxazolamine,3-(1-ethyl-1-methylpropyl)-)
82560-06-3 structure
Product Name:5-Isoxazolamine,3-(1-ethyl-1-methylpropyl)-
CAS No:82560-06-3
MF:C9H16N2O
MW:168.236142158508
CID:722651
PubChem ID:92402
Update Time:2025-04-19
5-Isoxazolamine,3-(1-ethyl-1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolamine,3-(1-ethyl-1-methylpropyl)-
- 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine
- 3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine
- 82560-06-3
- DTXSID5073664
- NS00008595
- EC 401-460-9
- SCHEMBL9713142
- DFDAEJDUOXMUQR-UHFFFAOYSA-N
- 5-amino-3-(1-ethyl-1-methylpropyl)isoxazole
- 5-Isoxazolamine, 3-(1-ethyl-1-methylpropyl)-
- 3-(3-Methylpentan-3-yl)isoxazol-5-amine
-
- Inchi： 1S/C9H16N2O/c1-4-9(3,5-2)7-6-8(10)12-11-7/h6H,4-5,10H2,1-3H3
- InChI Key： DFDAEJDUOXMUQR-UHFFFAOYSA-N
- SMILES： O1C(=CC(C(C)(CC)CC)=N1)N
Computed Properties
- Exact Mass: 168.126
- Monoisotopic Mass: 168.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 146
- 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: 2.4
- Topological Polar Surface Area: 52?2
Experimental Properties
- Density: 1.004
- Boiling Point: 280.3°C at 760 mmHg
- Flash Point: 123.3°C
- Refractive Index: 1.491
5-Isoxazolamine,3-(1-ethyl-1-methylpropyl)- Security Information
- Hazard Category Code： 23/25-41-52/53
- Safety Instruction： 22-26-36/37/39-45-61
-
Hazardous Material Identification：
5-Isoxazolamine,3-(1-ethyl-1-methylpropyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
82560-06-3 (5-Isoxazolamine,3-(1-ethyl-1-methylpropyl)-) Related Products
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