Cas no 103218-10-6 (Dimethyl 2-(methylamino)propanedioate)
103218-10-6 structure
Product Name:Dimethyl 2-(methylamino)propanedioate
CAS No:103218-10-6
MF:C6H11NO4
MW:161.155842065811
CID:1136295
PubChem ID:13464042
Update Time:2025-04-20
Dimethyl 2-(methylamino)propanedioate Chemical and Physical Properties
Names and Identifiers
-
- Dimethyl 2-(methylamino)propanedioate
- Propanedioic acid, (methylamino)-, dimethyl ester
- 2-methylamino-propanedioic acid dimethyl ester
- AGN-PC-00MO5N
- dimethyl (methylamino)malonate
- dimethyl 2-(methylamino)malonate
- Dimethyl Methylaminomalonate
- dimethyl aminomethyl malonate
- CTK0G7175
- ACMC-20m63k
- Propanedioic acid, (methylamino)-, dimethyl ester; 2-methylamino-propanedioic acid dimethyl ester; AGN-PC-00MO5N; dimethyl (methylamino)malonate; dimethyl 2-(methylamino)malonate; Dimethyl Methylaminomalonate; dimethyl aminomethyl malonate; CTK0G7175; ACMC-20m63k;
- SCHEMBL14202763
- 103218-10-6
- DTXSID10541479
- Dimethyl (methylamino)propanedioate
-
- Inchi： 1S/C6H11NO4/c1-7-4(5(8)10-2)6(9)11-3/h4,7H,1-3H3
- InChI Key： JTOKQDIXFXUYMZ-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(=O)OC)NC)=O
Computed Properties
- Exact Mass: 161.068808g/mol
- Monoisotopic Mass: 161.068808g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 141
- 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
- Molecular Weight: 161.16g/mol
- XLogP3: -0.2
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- PSA: 64.63000
- LogP: -0.68870
Dimethyl 2-(methylamino)propanedioate Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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