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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 Mass:
103.12 g/mol
Names and Synonyms:
Dimethylglycine
Glycine, N,N-dimethyl-
N,N-Dimethylglycine
Dimethylglycine
N-Methylsarcosine
(Dimethylamino)acetic acid
N,N-Dimethylaminoacetic acid
2-(Dimethylamino)acetic acid
2-(N,N-Dimethylamino)acetic acid
46: PN: WO2008005407 PAGE: 5 claimed protein
DMG
2-(Dimethylazaniumyl)acetate
Identifiers:
SMILES:
CN(C)CC(=O)O
InChI:
InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
Key Properties
Melting Point
182-183 °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 | 103.12 g/mol | CAS Common Chemistry |
| 103.12099999999998 g/mol | RDKit | |
| 103.063328528 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylglycine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=FFDGPVCHZBVARC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 182-183 °C | CAS Common Chemistry |
| Name | N,N-Dimethylglycine | CAS Common Chemistry |
| Dimethylglycine | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.540000000000006 Ų | RDKit |
| LogP | -0.3674 | RDKit |
| Molar Refractivity | 26.18979999999999 | RDKit |
