Cas no 771579-26-1 (Propanedioic acid, (3-aminopropyl)-, diethyl ester)
771579-26-1 structure
Product Name:Propanedioic acid, (3-aminopropyl)-, diethyl ester
CAS No:771579-26-1
MF:C10H19NO4
MW:217.26216340065
CID:1783589
PubChem ID:14919762
Update Time:2025-04-21
Propanedioic acid, (3-aminopropyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (3-aminopropyl)-, diethyl ester
- 771579-26-1
- SCHEMBL15710456
- Diethyl 2-(3-aminopropyl)malonate
-
- Inchi： 1S/C10H19NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-7,11H2,1-2H3
- InChI Key： KYLDRZYXRQGRKM-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)CCCN)=O
Computed Properties
- Exact Mass: 217.13147
- Monoisotopic Mass: 217.13140809g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 188
- 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: 0.7
- Topological Polar Surface Area: 78.6?2
Experimental Properties
- PSA: 78.62
Propanedioic acid, (3-aminopropyl)-, diethyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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