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Molecule
Aminoacetic Acid Hydrochloride
CAS: 6000-43-7 · C2H6ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6000-43-7
- Molecular Formula
- C2H6ClNO2
- Molecular Mass
- 111.53 g/mol
Identifiers
CAS Registry Number
6000-43-7
SMILES
Cl.NCC(=O)O
InChI Key
IVLXQGJVBGMLRR-UHFFFAOYSA-N
InChI
InChI=1S/C2H5NO2.ClH/c3-1-2(4)5;/h1,3H2,(H,4,5);1H
Names and Synonyms
- Aminoacetic Acid Hydrochloride Synonym
- Glycine, hydrochloride (1:1) Synonym
- Glycine, hydrochloride Synonym
- Glycocoll hydrochloride Synonym
- Aminoacetic acid hydrochloride Synonym
- Carboxymethanaminium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 111.53 g/mol | CAS Common Chemistry |
| 111.52799999999999 g/mol | RDKit | |
| 111.528 g/mol | RDKit | |
| 111.525 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(O)CN | CAS Common Chemistry |
| InChI | InChI=1S/C2H5NO2.ClH/c3-1-2(4)5;/h1,3H2,(H,4,5);1H | CAS Common Chemistry |
| InChI Key | InChIKey=IVLXQGJVBGMLRR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178 °C | CAS Common Chemistry |
| Name | Aminoacetic acid hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| 63.32 Ų | RDKit | |
| LogP | -0.5485000000000002 | RDKit |
| -0.5485 | RDKit | |
| Molar Refractivity | 23.9382 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 111.008706112 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 111.53 g/mol. Edit any field — others recompute live.
