Cas no 82697-03-8 (Propanedioic acid, (dipropylamino)-, diethyl ester)
82697-03-8 structure
Product Name:Propanedioic acid, (dipropylamino)-, diethyl ester
CAS No:82697-03-8
MF:C13H25NO4
MW:259.341904401779
CID:687235
PubChem ID:15744966
Update Time:2025-04-19
Propanedioic acid, (dipropylamino)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (dipropylamino)-, diethyl ester
- diethyl 2-(dipropylamino)propanedioate
- 82697-03-8
- SCHEMBL7350732
- Diethyl (dipropylamino)propanedioate
- diethyl (dipropylamino)-malonate
- UVXPPRDKOGYPOT-UHFFFAOYSA-N
- diethyl di-n-propylaminomalonate
- diethyl (dipropylamino)malonate
- DTXSID20577880
-
- Inchi: 1S/C13H25NO4/c1-5-9-14(10-6-2)11(12(15)17-7-3)13(16)18-8-4/h11H,5-10H2,1-4H3
- InChI Key: UVXPPRDKOGYPOT-UHFFFAOYSA-N
- SMILES: O(CC)C(C(C(=O)OCC)N(CCC)CCC)=O
Computed Properties
- Exact Mass: 259.17835828g/mol
- Monoisotopic Mass: 259.17835828g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 231
- 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: 2.8
- Topological Polar Surface Area: 55.8?2
Propanedioic acid, (dipropylamino)-, diethyl ester Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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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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