Cas no 54527-74-1 (2-Butenoic acid, 3-amino-, 2-(dimethylamino)ethyl ester)
54527-74-1 structure
Product Name:2-Butenoic acid, 3-amino-, 2-(dimethylamino)ethyl ester
CAS No:54527-74-1
MF:C8H16N2O2
MW:172.224842071533
CID:354359
PubChem ID:71364638
Update Time:2025-04-19
2-Butenoic acid, 3-amino-, 2-(dimethylamino)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 3-amino-, 2-(dimethylamino)ethyl ester
- 2-(dimethylamino)ethyl 3-aminobut-2-enoate
- 54527-74-1
- DTXSID70788101
-
- Inchi： 1S/C8H16N2O2/c1-7(9)6-8(11)12-5-4-10(2)3/h6H,4-5,9H2,1-3H3
- InChI Key： XHRURFKXVPMILH-UHFFFAOYSA-N
- SMILES： O(C(C=C(C)N)=O)CCN(C)C
Computed Properties
- Exact Mass: 172.12128
- Monoisotopic Mass: 172.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.6
- Topological Polar Surface Area: 55.6?2
Experimental Properties
- PSA: 55.56
2-Butenoic acid, 3-amino-, 2-(dimethylamino)ethyl ester Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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