Cas no 166950-00-1 (Methyl 5-(2-aminoethyl)oxazole-4-carboxylate)
166950-00-1 structure
Product Name:Methyl 5-(2-aminoethyl)oxazole-4-carboxylate
CAS No:166950-00-1
MF:C7H10N2O3
MW:170.165901660919
CID:110829
Update Time:2023-08-02
Methyl 5-(2-aminoethyl)oxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylicacid, 5-(2-aminoethyl)-, methyl ester
- methyl 5-?(2-?aminoethyl)?oxazole-?4-?carboxylate
- 4-Oxazolecarboxylicacid,5-(2-aminoethyl)-,methylester(9CI)
- methyl 5-(2-aminoethyl)oxazole-4-carboxylate
- Methyl 5-(2-aminoethyl)oxazole-4-carboxylate
-
- Inchi: 1S/C7H10N2O3/c1-11-7(10)6-5(2-3-8)12-4-9-6/h4H,2-3,8H2,1H3
- InChI Key: HLNWNMQKSMZDNM-UHFFFAOYSA-N
- SMILES: O1C=NC(C(=O)OC)=C1CCN
Computed Properties
- Exact Mass: 170.069
- Monoisotopic Mass: 170.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 163
- 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: 78.4
Methyl 5-(2-aminoethyl)oxazole-4-carboxylate 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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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