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Molecule
Dimethylglycine
CAS: 1118-68-9 · C4H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1118-68-9
- Molecular Formula
- C4H9NO2
- Molecular Mass
- 103.12 g/mol
Identifiers
CAS Registry Number
1118-68-9
SMILES
CN(C)CC(=O)O
InChI Key
FFDGPVCHZBVARC-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
Names and Synonyms
- Dimethylglycine Common Name
- Glycine, N,N-dimethyl- Synonym
- N,N-Dimethylglycine Synonym
- Dimethylglycine Synonym
- N-Methylsarcosine Synonym
- (Dimethylamino)acetic acid Synonym
- N,N-Dimethylaminoacetic acid Synonym
- 2-(Dimethylamino)acetic acid Synonym
- 2-(N,N-Dimethylamino)acetic acid Synonym
- 46: PN: WO2008005407 PAGE: 5 claimed protein Synonym
- DMG Synonym
- 2-(Dimethylazaniumyl)acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.12 g/mol | CAS Common Chemistry |
| 103.12099999999998 g/mol | RDKit | |
| 103.121 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 |
| 40.54 Ų | RDKit | |
| 40.31 Ų | chempirical lib | |
| LogP | -0.3674 | RDKit |
| Molar Refractivity | 26.18979999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 103.063328528 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
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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
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MW = 103.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9NO2.
