Cas no 37706-08-4 (Propanedioic acid,2-(diethylamino)-, 1,3-diethyl ester)
37706-08-4 structure
Product Name:Propanedioic acid,2-(diethylamino)-, 1,3-diethyl ester
CAS No:37706-08-4
MF:C11H21NO4
MW:231.28874373436
CID:320819
PubChem ID:292519
Update Time:2025-04-19
Propanedioic acid,2-(diethylamino)-, 1,3-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-(diethylamino)-, 1,3-diethyl ester
- diethyl 2-(diethylamino)propanedioate
- AC1L6I69
- AC1Q324O
- AC1Q63Z1
- AR-1I5003
- CTK4H8670
- Diaethylamino-malonsaeure-aethylester
- Diaethylamino-malonsaeure-diaethylester
- diethyl (diethylamino)propanedioate
- diethyl N,N-diethylaminomalonate
- diethylamino-malonic acid diethyl ester
- Diethylamino-malonsaeure-diethylester
- NSC158337
- KPXMMPKVFUVJMD-UHFFFAOYSA-N
- NSC-158337
- DIETHYL 2-(DIETHYLAMINO)-MALONATE
- 37706-08-4
- SCHEMBL10782325
- AKOS024333792
- DTXSID50303437
-
- Inchi： 1S/C11H21NO4/c1-5-12(6-2)9(10(13)15-7-3)11(14)16-8-4/h9H,5-8H2,1-4H3
- InChI Key： KPXMMPKVFUVJMD-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)N(CC)CC)=O
Computed Properties
- Exact Mass: 231.14713
- Monoisotopic Mass: 231.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 208
- 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: 1.029
- Boiling Point: 279.1°Cat760mmHg
- Flash Point: 122.6°C
- Refractive Index: 1.448
- PSA: 55.84
Propanedioic acid,2-(diethylamino)-, 1,3-diethyl ester Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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