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Acetic Acid, 2-(Dimethylamino)-2-Oxo-, Ethyl Ester
CAS: 16703-52-9 | C6H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16703-52-9
Molecular Formula:
C6H11NO3
Molecular Mass:
145.16 g/mol
Names and Synonyms:
Acetic Acid, 2-(Dimethylamino)-2-Oxo-, Ethyl Ester
Acetic acid, 2-(dimethylamino)-2-oxo-, ethyl ester
Oxamic acid, dimethyl-, ethyl ester
Acetic acid, (dimethylamino)oxo-, ethyl ester
Ethyl N,N-dimethyloxamate
N,N-Dimethyl ethyl oxamate
NSC 511999
Ethyl 2-(dimethylamino)-2-oxoacetate
Identifiers:
SMILES:
CCOC(=O)C(=O)N(C)C
InChI:
InChI=1S/C6H11NO3/c1-4-10-6(9)5(8)7(2)3/h4H2,1-3H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.16 g/mol | CAS Common Chemistry |
| 145.158 g/mol | RDKit | |
| 145.073893212 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)C(=O)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO3/c1-4-10-6(9)5(8)7(2)3/h4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HMALWDVRMHVUAW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Acetic acid, 2-(dimethylamino)-2-oxo-, ethyl ester | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.61000000000001 Ų | RDKit |
| LogP | -0.36230000000000007 | RDKit |
| Molar Refractivity | 35.32699999999999 | RDKit |
