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Molecule
Pyridoxine Hydrochloride
CAS: 58-56-0 · C8H12ClNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58-56-0
- Molecular Formula
- C8H12ClNO3
- Molecular Mass
- 205.64 g/mol
Identifiers
CAS Registry Number
58-56-0
SMILES
Cc1ncc(CO)c(CO)c1O.Cl
InChI Key
ZUFQODAHGAHPFQ-UHFFFAOYSA-N
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
Names and Synonyms
- Pyridoxine Hydrochloride Common Name
- 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1) Synonym
- Pyridoxol, hydrochloride Synonym
- 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride Synonym
- Aderoxine Synonym
- Becilan Synonym
- Benadon Synonym
- Campoviton 6 Synonym
- 4,5-Di(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride Synonym
- Hexobion Synonym
- Hexabetalin Synonym
- Hexabione hydrochloride Synonym
- Hexavibex Synonym
- Hexermin Synonym
- 3-Hydroxy-4,5-dimethylol-α-picoline hydrochloride Synonym
- 5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride Synonym
- 5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride Synonym
- 2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride Synonym
- 2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine hydrochloride Synonym
- Pyridipca Synonym
- Pyridoxin hydrochloride Synonym
- Vitamin B6 hydrochloride Synonym
- Pyridoxine hydrochloride Synonym
- 3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine hydrochloride Synonym
- Pyridoxine hydrogen chloride Synonym
- Pyridoxine chloride Synonym
- 4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride Synonym
- Aderomine hydrochloride Synonym
- Pyridoxinium chloride Synonym
- Aderoxin Synonym
- Pyridoxine monohydrochloride Synonym
- 4,5-Bis(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride Synonym
- 4,5-Dimethylol-3-hydroxy-2-methylpyridine hydrochloride Synonym
- Pyridox Synonym
- Beesix Synonym
- Bonasanit Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.64 g/mol | CAS Common Chemistry |
| 205.64100000000002 g/mol | RDKit | |
| 205.641 g/mol | RDKit | |
| 205.638 g/mol | chempirical lib | |
| 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 |
| 73.58 Ų | RDKit | |
| 73.05 Ų | chempirical lib | |
| LogP | 0.5020199999999997 | RDKit |
| 0.502 | RDKit | |
| Molar Refractivity | 49.73240000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.375 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 205.050570924 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 205.64 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12ClNO3.
