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N,N-Dimethylglycine Ethyl Ester
CAS: 33229-89-9 | C6H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33229-89-9
Molecular Formula:
C6H13NO2
Molecular Mass:
131.18 g/mol
Names and Synonyms:
N,N-Dimethylglycine Ethyl Ester
Glycine, N,N-dimethyl-, ethyl ester
N,N-Dimethylglycine ethyl ester
Dimethylglycine ethyl ester
Ethyl (dimethylamino)acetate
Ethyl dimethylglycinate
Ethyl N,N-dimethylglycinate
Ethyl (N,N-dimethylamino)acetate
Ethyl 2-(dimethylamino)acetate
Identifiers:
SMILES:
CCOC(=O)CN(C)C
InChI:
InChI=1S/C6H13NO2/c1-4-9-6(8)5-7(2)3/h4-5H2,1-3H3
Key Properties
Boiling Point
48-49 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
135 °C
CAS Common Chemistry
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 | 131.18 g/mol | CAS Common Chemistry |
| 131.175 g/mol | RDKit | |
| 131.094628656 g/mol | RDKit | |
| Boiling Point | 48-49 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO2/c1-4-9-6(8)5-7(2)3/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BGCNBOFPABQGNG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135 °C | CAS Common Chemistry |
| Name | N,N-Dimethylglycine ethyl ester | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| LogP | 0.11109999999999998 | RDKit |
| Molar Refractivity | 35.18699999999999 | RDKit |
