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Molecule
Dimethylglycine Hydrochloride
CAS: 2491-06-7 · C4H10ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2491-06-7
- Molecular Formula
- C4H10ClNO2
- Molecular Mass
- 139.58 g/mol
Identifiers
CAS Registry Number
2491-06-7
SMILES
CN(C)CC(=O)O.Cl
InChI Key
FKASAVXZZLJTNX-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
Names and Synonyms
- Dimethylglycine Hydrochloride Synonym
- Glycine, N,N-dimethyl-, hydrochloride (1:1) Synonym
- Glycine, N,N-dimethyl-, hydrochloride Synonym
- N,N-Dimethylglycine hydrochloride Synonym
- (Dimethylamino)acetic acid hydrochloride Synonym
- Dimethylglycine hydrochloride Synonym
- N,N-Dimethylaminoacetic acid hydrochloric acid Synonym
- 2-(Dimethylamino)acetic acid hydrochloride Synonym
- N,N-Dimethylglycine monohydrochloride Synonym
- (Carboxymethyl)dimethylazanium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.58 g/mol | CAS Common Chemistry |
| 139.582 g/mol | RDKit | |
| 139.579 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(O)CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H | CAS Common Chemistry |
| InChI Key | InChIKey=FKASAVXZZLJTNX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189-190 °C | CAS Common Chemistry |
| Name | Dimethylglycine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 0.054400000000000004 | RDKit |
| 0.0544 | RDKit | |
| Molar Refractivity | 33.437799999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 139.04000624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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
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MW = 139.58 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10ClNO2.
