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Glycine, N-Methyl-, Hydrochloride (1:1)
CAS: 637-96-7 | C3H8ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
637-96-7
Molecular Formula:
C3H8ClNO2
Molecular Weight:
125.55499999999998 g/mol
Names and Synonyms:
Glycine, N-Methyl-, Hydrochloride (1:1)
2-(Methylamino)acetic acid hydrochloride
N-Methylglycine hydrochloride
Glycine, N-methyl-, hydrochloride
Sarcosine, hydrochloride
Glycine, N-methyl-, hydrochloride (1:1)
Identifiers:
SMILES:
CNCC(=O)O.Cl
InChI:
InChI=1S/C3H7NO2.ClH/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);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 | 125.55 g/mol | Legacy Database |
| density | 1.48 g/cm³ | Legacy Database |
| cas-canonical-smile | Cl.O=C(O)CNC None | Legacy Database |
| cas-density | 1.48 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H7NO2.ClH/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);1H None | Legacy Database |
| cas-inchi-key | InChIKey=WVKIFIROCHIWAY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 168-169 °C None | Legacy Database |
| cas-name | Glycine, N-methyl-, hydrochloride (1:1) None | Legacy Database |
| LogP | -0.2878000000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 125.55499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 125.024356176 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 | 2 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 | 49.33 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.810499999999994 | RDKit |
