Cas no 4333-37-3 (5-Isoxazolamine, N,N-dimethyl-3-phenyl-)
4333-37-3 structure
Product Name:5-Isoxazolamine, N,N-dimethyl-3-phenyl-
CAS No:4333-37-3
MF:C11H12N2O
MW:188.225782394409
CID:1515639
PubChem ID:12371369
Update Time:2025-04-21
5-Isoxazolamine, N,N-dimethyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolamine, N,N-dimethyl-3-phenyl-
- CHEMBL3276989
- 4333-37-3
- dimethyl-(3-phenyl-isoxazol-5-yl)-amine
-
- Inchi： 1S/C11H12N2O/c1-13(2)11-8-10(12-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3
- InChI Key： VREYWUZREGFJHX-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=CC=CC=2)=N1)N(C)C
Computed Properties
- Exact Mass: 188.09506
- Monoisotopic Mass: 188.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 178
- 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: 2.5
- Topological Polar Surface Area: 29.3?2
Experimental Properties
- PSA: 29.27
5-Isoxazolamine, N,N-dimethyl-3-phenyl- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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