Cas no 872788-57-3 (5-Isoxazolamine,3-(ethoxymethyl)-4-methyl-)
872788-57-3 structure
Product Name:5-Isoxazolamine,3-(ethoxymethyl)-4-methyl-
CAS No:872788-57-3
MF:C7H12N2O2
MW:156.182381629944
CID:719483
PubChem ID:59803030
Update Time:2025-04-19
5-Isoxazolamine,3-(ethoxymethyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolamine,3-(ethoxymethyl)-4-methyl-
- Isoxazole, 5-amino-3-(ethoxymethyl)-4-methyl- (5CI)
- SCHEMBL14072063
- 872788-57-3
- 3-(Ethoxymethyl)-4-methylisoxazol-5-amine
-
- Inchi： 1S/C7H12N2O2/c1-3-10-4-6-5(2)7(8)11-9-6/h3-4,8H2,1-2H3
- InChI Key： UUFNWSJNIUWJEU-UHFFFAOYSA-N
- SMILES： O(CC)CC1C(C)=C(N)ON=1
Computed Properties
- Exact Mass: 156.09
- Monoisotopic Mass: 156.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 121
- 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
- Topological Polar Surface Area: 61.3A^2
- XLogP3: 0.4
5-Isoxazolamine,3-(ethoxymethyl)-4-methyl- 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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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
872788-57-3 (5-Isoxazolamine,3-(ethoxymethyl)-4-methyl-) Related Products
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