Back to Search
Molecule
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
Identifiers
CAS Registry Number
16703-52-9
SMILES
CCOC(=O)C(=O)N(C)C
InChI Key
HMALWDVRMHVUAW-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO3/c1-4-10-6(9)5(8)7(2)3/h4H2,1-3H3
Names and Synonyms
- Acetic Acid, 2-(Dimethylamino)-2-Oxo-, Ethyl Ester Systematic Name
- Acetic acid, 2-(dimethylamino)-2-oxo-, ethyl ester Synonym
- Oxamic acid, dimethyl-, ethyl ester Synonym
- Acetic acid, (dimethylamino)oxo-, ethyl ester Synonym
- Ethyl N,N-dimethyloxamate Synonym
- N,N-Dimethyl ethyl oxamate Synonym
- NSC 511999 Synonym
- Ethyl 2-(dimethylamino)-2-oxoacetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.16 g/mol | CAS Common Chemistry |
| 145.158 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 |
| 46.61 Ų | RDKit | |
| 46.38 Ų | chempirical lib | |
| LogP | -0.36230000000000007 | RDKit |
| -0.3623 | RDKit | |
| Molar Refractivity | 35.32699999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 145.073893212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 145.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H11NO3.
