Cas no 137786-67-5 (Propanedioic acid, (1-aminoethylidene)-, diethyl ester)
137786-67-5 structure
Product Name:Propanedioic acid, (1-aminoethylidene)-, diethyl ester
CAS No:137786-67-5
MF:C9H15NO4
MW:201.219702959061
CID:1254754
PubChem ID:15648022
Update Time:2025-04-20
Propanedioic acid, (1-aminoethylidene)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (1-aminoethylidene)-, diethyl ester
- diethyl 2-(1-aminoethylidene)propanedioate
- DTXSID30576288
- Diethyl (1-aminoethylidene)propanedioate
- 137786-67-5
- SCHEMBL10463988
- XSBRDCXKWANXIE-UHFFFAOYSA-N
- diethyl 2-(1-aminoethylidene)malonate
-
- Inchi： 1S/C9H15NO4/c1-4-13-8(11)7(6(3)10)9(12)14-5-2/h4-5,10H2,1-3H3
- InChI Key： XSBRDCXKWANXIE-UHFFFAOYSA-N
- SMILES： O(CC)C(/C(/C(=O)OCC)=C(\C)/N)=O
Computed Properties
- Exact Mass: 201.10015
- Monoisotopic Mass: 201.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 238
- 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: 1.4
- Topological Polar Surface Area: 78.6?2
Experimental Properties
- PSA: 78.62
Propanedioic acid, (1-aminoethylidene)-, diethyl ester Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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