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Glucosamine Hydrochloride
CAS: 66-84-2 | C6H14ClNO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
66-84-2
Molecular Formula:
C6H14ClNO5
Molecular Mass:
215.63 g/mol
Names and Synonyms:
Glucosamine Hydrochloride
D-Glucose, 2-amino-2-deoxy-, hydrochloride (1:1)
D-Glucose, 2-amino-2-deoxy-, hydrochloride
Glucosamine hydrochloride
D-Glucosamine hydrochloride
D-(+)-Glucosamine hydrochloride
2-Amino-2-deoxy-D-glucose hydrochloride
Chitosamine hydrochloride
Cosamin
2-Deoxy-2-amino-D-glucose hydrochloride
D-Glucosamine chloride
NSC 234443
NSC 758
Koyo Glucosamine MG
Glucosamine FM
Identifiers:
SMILES:
Cl.N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI:
InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4+,5+,6+;/m0./s1
Key Properties
Melting Point
217.857 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.63 g/mol | CAS Common Chemistry |
| 215.63299999999998 g/mol | RDKit | |
| 215.056050228 g/mol | RDKit | |
| Canonical SMILES | Cl.O=CC(N)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4+,5+,6+;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CBOJBBMQJBVCMW-BTVCFUMJSA-N | CAS Common Chemistry |
| Melting Point | 217.857 °C | CAS Common Chemistry |
| Name | Glucosamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 124.01000000000002 Ų | RDKit |
| LogP | -2.9906 | RDKit |
| Molar Refractivity | 46.39360000000002 | RDKit |
