Cas no 543713-35-5 ((3-(2-Ethoxyphenyl)isoxazol-5-yl)methanamine)
543713-35-5 structure
Product Name:(3-(2-Ethoxyphenyl)isoxazol-5-yl)methanamine
CAS No:543713-35-5
MF:C12H14N2O2
MW:218.251762866974
CID:1021686
Update Time:2023-08-02
(3-(2-Ethoxyphenyl)isoxazol-5-yl)methanamine Chemical and Physical Properties
Names and Identifiers
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- 5-Isoxazolemethanamine,3-(2-ethoxyphenyl)-(9CI)
- (3-(2-ethoxyphenyl)isoxazol-5-yl)methanamine
- (3-(2-Ethoxyphenyl)isoxazol-5-yl)methanamine
-
- Inchi： 1S/C12H14N2O2/c1-2-15-12-6-4-3-5-10(12)11-7-9(8-13)16-14-11/h3-7H,2,8,13H2,1H3
- InChI Key： UTNADEYAMOYOAS-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC=CC=1C1C=C(CN)ON=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 213
- Topological Polar Surface Area: 61.3
(3-(2-Ethoxyphenyl)isoxazol-5-yl)methanamine Related Literature
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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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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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