Cas no 58243-07-5 (2-Propenoic acid, 3-(diethylamino)-, methyl ester, (2E)-)
58243-07-5 structure
Product Name:2-Propenoic acid, 3-(diethylamino)-, methyl ester, (2E)-
CAS No:58243-07-5
MF:C8H15NO2
MW:157.210202455521
CID:342762
PubChem ID:71443715
Update Time:2025-04-19
2-Propenoic acid, 3-(diethylamino)-, methyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(diethylamino)-, methyl ester, (2E)-
- methyl 3-(diethylamino)prop-2-enoate
- 58243-07-5
- SCHEMBL6891801
- AKOS018448931
- DTXSID90852530
- methyl 3-diethylaminoacrylate
-
- Inchi： 1S/C8H15NO2/c1-4-9(5-2)7-6-8(10)11-3/h6-7H,4-5H2,1-3H3
- InChI Key： RUXDZYKPXMQICT-UHFFFAOYSA-N
- SMILES： O(C)C(C=CN(CC)CC)=O
Computed Properties
- Exact Mass: 157.11035
- Monoisotopic Mass: 157.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 139
- 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: 1.2
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54
2-Propenoic acid, 3-(diethylamino)-, methyl ester, (2E)- Related Literature
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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