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Aminoacetic Acid Hydrochloride
CAS: 6000-43-7 | C2H6ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6000-43-7
Molecular Formula:
C2H6ClNO2
Molecular Weight:
111.52799999999999 g/mol
Names and Synonyms:
Aminoacetic Acid Hydrochloride
Glycine, hydrochloride (1:1)
Glycine, hydrochloride
Glycocoll hydrochloride
Aminoacetic acid hydrochloride
Carboxymethanaminium chloride
Identifiers:
SMILES:
Cl.NCC(=O)O
InChI:
InChI=1S/C2H5NO2.ClH/c3-1-2(4)5;/h1,3H2,(H,4,5);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 |
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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 | 111.53 g/mol | Legacy Database |
| cas-canonical-smile | Cl.O=C(O)CN None | Legacy Database |
| cas-inchi | InChI=1S/C2H5NO2.ClH/c3-1-2(4)5;/h1,3H2,(H,4,5);1H None | Legacy Database |
| cas-inchi-key | InChIKey=IVLXQGJVBGMLRR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 178 °C None | Legacy Database |
| cas-name | Aminoacetic acid hydrochloride None | Legacy Database |
| LogP | -0.5485000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 111.52799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 111.008706112 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.9382 | RDKit |
