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Dimethylglycine Hydrochloride
CAS: 2491-06-7 | C4H10ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2491-06-7
Molecular Formula:
C4H10ClNO2
Molecular Weight:
139.582 g/mol
Names and Synonyms:
Dimethylglycine Hydrochloride
Glycine, N,N-dimethyl-, hydrochloride (1:1)
Glycine, N,N-dimethyl-, hydrochloride
N,N-Dimethylglycine hydrochloride
(Dimethylamino)acetic acid hydrochloride
Dimethylglycine hydrochloride
N,N-Dimethylaminoacetic acid hydrochloric acid
2-(Dimethylamino)acetic acid hydrochloride
N,N-Dimethylglycine monohydrochloride
(Carboxymethyl)dimethylazanium chloride
Identifiers:
SMILES:
CN(C)CC(=O)O.Cl
InChI:
InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 139.58 g/mol | Legacy Database |
| cas-canonical-smile | Cl.O=C(O)CN(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H None | Legacy Database |
| cas-inchi-key | InChIKey=FKASAVXZZLJTNX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 189-190 °C None | Legacy Database |
| cas-name | Dimethylglycine hydrochloride None | Legacy Database |
| LogP | 0.054400000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 139.582 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 139.04000624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.437799999999996 | RDKit |
