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Dimethylglycine
CAS: 1118-68-9 | C4H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1118-68-9
Molecular Formula:
C4H9NO2
Molecular Weight:
103.12099999999998 g/mol
Names and Synonyms:
Dimethylglycine
2-(Dimethylazaniumyl)acetate
DMG
46: PN: WO2008005407 PAGE: 5 claimed protein
2-(N,N-Dimethylamino)acetic acid
2-(Dimethylamino)acetic acid
N,N-Dimethylaminoacetic acid
(Dimethylamino)acetic acid
N-Methylsarcosine
Dimethylglycine
N,N-Dimethylglycine
Glycine, N,N-dimethyl-
Identifiers:
SMILES:
CN(C)CC(=O)O
InChI:
InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 103.12099999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 103.063328528 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.540000000000006 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3674 | RDKit |
| molecular_mass | 103.12 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethylglycine None | Legacy Database |
| cas-canonical-smile | O=C(O)CN(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) None | Legacy Database |
| cas-inchi-key | InChIKey=FFDGPVCHZBVARC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 182-183 °C None | Legacy Database |
| cas-name | N,N-Dimethylglycine None | Legacy Database |
| wikipedia-name | Dimethylglycine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.18979999999999 | RDKit |
