Cas no 71510-96-8 (Propanoicacid, 3-oxo-3-(propylamino)-, ethyl ester)
71510-96-8 structure
Product Name:Propanoicacid, 3-oxo-3-(propylamino)-, ethyl ester
CAS No:71510-96-8
MF:C8H15NO3
MW:173.209602594376
CID:562158
PubChem ID:11159597
Update Time:2025-04-19
Propanoicacid, 3-oxo-3-(propylamino)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoicacid, 3-oxo-3-(propylamino)-, ethyl ester
- EthylN-propylmalonamate
- 3-oxo-3-(propylamino)Propanoic acid ethyl ester
- ethyl 3-oxo-3-(propylamino)propanoate
- FT-0708102
- 71510-96-8
- AG-G-80307
- DTXSID70457188
-
- Inchi： 1S/C8H15NO3/c1-3-5-9-7(10)6-8(11)12-4-2/h3-6H2,1-2H3,(H,9,10)
- InChI Key： BYHKMIIHUXAUBA-UHFFFAOYSA-N
- SMILES： O(CC)C(CC(NCCC)=O)=O
Computed Properties
- Exact Mass: 173.10525
- Monoisotopic Mass: 173.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 156
- 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: 0.8
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- PSA: 55.4
Propanoicacid, 3-oxo-3-(propylamino)-, ethyl ester Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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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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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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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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