Cas no 52053-68-6 (Propanoic acid, 3-(ethylmethylamino)-3-oxo-, ethyl ester)
52053-68-6 structure
Product Name:Propanoic acid, 3-(ethylmethylamino)-3-oxo-, ethyl ester
CAS No:52053-68-6
MF:C8H15NO3
MW:173.209602594376
CID:360780
PubChem ID:12249488
Update Time:2025-04-19
Propanoic acid, 3-(ethylmethylamino)-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-(ethylmethylamino)-3-oxo-, ethyl ester
- ethyl 3-[ethyl(methyl)amino]-3-oxopropanoate
- DTXSID20482344
- 52053-68-6
- SCHEMBL11748210
-
- Inchi： 1S/C8H15NO3/c1-4-9(3)7(10)6-8(11)12-5-2/h4-6H2,1-3H3
- InChI Key： MQYCBOANPAANDZ-UHFFFAOYSA-N
- SMILES： O(CC)C(CC(N(C)CC)=O)=O
Computed Properties
- Exact Mass: 173.10525
- Monoisotopic Mass: 173.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 168
- 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
- XLogP3: 0.5
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- PSA: 46.61
Propanoic acid, 3-(ethylmethylamino)-3-oxo-, ethyl ester 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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3. 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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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