3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde hydrochloride

• ChemBase ID: 102711
• Molecular Formular: C8H10ClNO3
• Molecular Mass: 203.6229
• Monoisotopic Mass: 203.03492087
• SMILES: Cl.Cc1ncc(CO)c(C=O)c1O
• Canonical SMILES: O=Cc1c(CO)cnc(c1O)C.Cl
• InChI: InChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H
• InChIKey: FCHXJFJNDJXENQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde hydrochloride
• IUPAC Traditional name: pyridoxal hydrochloride
• Synonyms: Pyridoxal hydrochloride; PL HCl; 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride; 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde hydrochloride; Vitamin B6 hydrochloride; 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride; PYRIDOXAL HYDROCHLORIDE; PYRIDOXAL; Pyridoxal 盐酸盐; 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde 盐酸盐; 吡哆醛盐酸盐

Database IDs

• CAS Number: 65-22-5
• EC Number: 200-602-5
• MDL Number: MFCD00012809
• Beilstein Number: 3656994
• Merck Index: 147978
• PubChem SID: 24899009; 162088724; 24888056; 24898650
• PubChem CID: 6171

CALCULATED PROPERTIES

• Acid pKa: 7.971194
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.16016957
• LogD (pH = 7.4): 0.07734484
• Log P: 0.17853081
• Molar Refractivity: 43.8734 cm^3
• Polarizability: 16.20816 Å^3
• Polar Surface Area: 70.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172-174°C dec.; 173 °C (dec.)(lit.); 173°C (dec.)

Safety Information

• Storage Condition: 0°C, Desiccate, Protect from light
• Storage Warning: Hygroscopic
• RTECS: UV1225000
• European Hazard Symbols: X
• German water hazard class: 2
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥98.0% (AT); ≥99% (HPLC); ≥99.5% (AT); ≥99.5% (T); 99%
• Salt Data: HCl
• Suitability: suitable for cell culture; suitable for insect cell culture
• Cation Traces: Ca: ≤250 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤15 mg/kg; Cu: ≤5 mg/kg; Fe: ≤15 mg/kg; Fe: ≤15 mg/L; K: ≤50 mg/kg; Mg: ≤10 mg/kg; Mn: ≤5 mg/kg; Mn: ≤60 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: sulfate (SO42-): ≤500 mg/kg
• Loss on Drying: ≤0.6% loss on drying; ≤2% loss on drying
• Quality Level: PREMIUM
• Empirical Formula (Hill Notation): C8H9NO3 · HCl
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 05218239

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02194730

Cell Culture Reagent
Hydrochloride

MP Biomedicals - 02102767

Hydrochloride Crystalline Useful for labeling amino acids and for their detection in the picomole range.

Sigma Aldrich - P6155

Application
For the labeling of amino acids and their detection in picomolar amounts;1 Coenzymes and Cofactors, vol. 1: Vitamin B6, Pyridoxal Phosphate2

Sigma Aldrich - 82860

Application
For the labeling of amino acids and their detection in picomolar amounts1; Coenzymes and Cofactors, vol. 1: Vitamin B6, Pyridoxal Phosphate2

Sigma Aldrich - 93759

Application
For the labeling of amino acids and their detection in picomolar amounts1; Coenzymes and Cofactors, vol. 1: Vitamin B6, Pyridoxal Phosphate2

Sigma Aldrich - 271748

Application
For the labeling of amino acids and their detection in picomolar amounts1; Coenzymes and Cofactors, vol. 1: Vitamin B6, Pyridoxal Phosphate2
Packaging
1, 5 g in glass bottle
25 g in poly bottle

Sigma Aldrich - P9130

Application
For the labeling of amino acids and their detection in picomolar amounts;1 Coenzymes and Cofactors, vol. 1: Vitamin B6, Pyridoxal Phosphate2

Sigma Aldrich - 55223

Application
For the labeling of amino acids and their detection in picomolar amounts1; Coenzymes and Cofactors, vol. 1: Vitamin B6, Pyridoxal Phosphate2