Back to Search
Pyridoxine Hydrochloride
CAS: 58-56-0 | C8H12ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58-56-0
Molecular Formula:
C8H12ClNO3
Molecular Mass:
205.64 g/mol
Names and Synonyms:
Pyridoxine Hydrochloride
3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1)
Pyridoxol, hydrochloride
3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride
Aderoxine
Becilan
Benadon
Campoviton 6
4,5-Di(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride
Hexobion
Hexabetalin
Hexabione hydrochloride
Hexavibex
Hexermin
3-Hydroxy-4,5-dimethylol-α-picoline hydrochloride
5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride
5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride
2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride
2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine hydrochloride
Pyridipca
Pyridoxin hydrochloride
Vitamin B6 hydrochloride
Pyridoxine hydrochloride
3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine hydrochloride
Pyridoxine hydrogen chloride
Pyridoxine chloride
4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride
Aderomine hydrochloride
Pyridoxinium chloride
Aderoxin
Pyridoxine monohydrochloride
4,5-Bis(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride
4,5-Dimethylol-3-hydroxy-2-methylpyridine hydrochloride
Pyridox
Beesix
Bonasanit
Identifiers:
SMILES:
Cc1ncc(CO)c(CO)c1O.Cl
InChI:
InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
Key Properties
Melting Point
207 °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 | 205.64 g/mol | CAS Common Chemistry |
| 205.64100000000002 g/mol | RDKit | |
| 205.050570924 g/mol | RDKit | |
| Canonical SMILES | Cl.OC=1C(=NC=C(C1CO)CO)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZUFQODAHGAHPFQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 207 °C | CAS Common Chemistry |
| Name | Pyridoxine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 73.58000000000001 Ų | RDKit |
| LogP | 0.5020199999999997 | RDKit |
| Molar Refractivity | 49.73240000000003 | RDKit |
