Cas no 56161-83-2 (Propanedioic acid, 2-piperidinylidene-, diethyl ester)
56161-83-2 structure
Product Name:Propanedioic acid, 2-piperidinylidene-, diethyl ester
CAS No:56161-83-2
MF:C12H19NO4
MW:241.28356385231
CID:349629
PubChem ID:11042881
Update Time:2025-04-19
Propanedioic acid, 2-piperidinylidene-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, 2-piperidinylidene-, diethyl ester
- diethyl 2-piperidin-2-ylidenepropanedioate
- 56161-83-2
- DTXSID40453091
-
- Inchi： 1S/C12H19NO4/c1-3-16-11(14)10(12(15)17-4-2)9-7-5-6-8-13-9/h13H,3-8H2,1-2H3
- InChI Key： WZTKMEXCPQONRT-UHFFFAOYSA-N
- SMILES： O(CC)C(/C(/C(=O)OCC)=C1/CCCCN/1)=O
Computed Properties
- Exact Mass: 241.13147
- Monoisotopic Mass: 241.13140809g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 303
- 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: 1.9
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- PSA: 64.63
Propanedioic acid, 2-piperidinylidene-, diethyl ester Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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