Cas no 55133-78-3 (diethyl (pyrrolidin-1-ylmethylidene)propanedioate)
55133-78-3 structure
Product Name:diethyl (pyrrolidin-1-ylmethylidene)propanedioate
CAS No:55133-78-3
MF:C12H19NO4
MW:241.28356385231
CID:943415
PubChem ID:294330
Update Time:2025-04-19
diethyl (pyrrolidin-1-ylmethylidene)propanedioate Chemical and Physical Properties
Names and Identifiers
-
- diethyl (pyrrolidin-1-ylmethylidene)propanedioate
- 2-(1-Pyrrolidinylmethylene)malonic acid diethyl ester
- Diethyl (1-pyrrolidinemethylene)malonate
- Pyrrolidinomethylen-malonsaeure-diaethylester
- DB-312451
- Diethyl [(pyrrolidin-1-yl)methylidene]propanedioate
- 55133-78-3
- DTXSID70970488
- NSC-162398
- Propanedioic acid, (1-pyrrolidinylmethylene)-, diethyl ester
- Diethyl 2-(1-pyrrolidinylmethylene)malonate #
- NSEAIZBXBUHBIT-UHFFFAOYSA-N
- NSC162398
-
- Inchi： 1S/C12H19NO4/c1-3-16-11(14)10(12(15)17-4-2)9-13-7-5-6-8-13/h9H,3-8H2,1-2H3
- InChI Key： NSEAIZBXBUHBIT-UHFFFAOYSA-N
- SMILES： O(CC)C(/C(/C(=O)OCC)=C/N1CCCC1)=O
Computed Properties
- Exact Mass: 241.13147
- Monoisotopic Mass: 241.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 286
- 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: 1.8
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.177
- Boiling Point: 294.3°C at 760 mmHg
- Flash Point: 131.8°C
- Refractive Index: 1.54
- PSA: 55.84
- LogP: 1.03020
diethyl (pyrrolidin-1-ylmethylidene)propanedioate Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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