4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride

• ChemBase ID: 130728
• Molecular Formular: C8H14Cl2N2O2
• Molecular Mass: 241.11496
• Monoisotopic Mass: 240.04323306
• SMILES: Cc1c(c(c(cn1)CO)CN)O.Cl.Cl
• Canonical SMILES: NCc1c(CO)cnc(c1O)C.Cl.Cl
• InChI: InChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H
• InChIKey: HNWCOANXZNKMLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride
• IUPAC Traditional name: pyridoxamine dihydrochloride
• Synonyms: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride; Pyridoxamine dihydrochloride; 4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride; 4-(氨甲基)-5-羟基-6-甲基-3-羟甲基吡啶 二盐酸盐; 吡哆胺 二盐酸盐

Database IDs

• CAS Number: 524-36-7
• EC Number: 208-357-6
• MDL Number: MFCD00012808
• Beilstein Number: 3632748
• PubChem SID: 24857266; 24888058; 162225006; 24899015; 24899030
• PubChem CID: 10664

CALCULATED PROPERTIES

• Acid pKa: 7.816021
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.645828
• LogD (pH = 7.4): -2.061956
• Log P: -1.5896055
• Molar Refractivity: 45.7628 cm^3
• Polarizability: 17.63022 Å^3
• Polar Surface Area: 79.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 224-226 °C (dec.)(lit.)

Safety Information

• RTECS: UV1230000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥98%; ≥99.0% (TLC); 95+%
• Grade: purum
• Suitability: suitable for cell culture
• Impurities: ≤10% water(may contain); ≤8% water
• Empirical Formula (Hill Notation): C8H12N2O2 · 2HCl

DETAILS

Sigma Aldrich - P9158

Application
Use in mammalian cell culture as an alternative to pyridoxine or pyridoxal. Vitamin B6 is a required component of cell culture media. Historically, media have been supplemented with vitamin B6 in the aldehyde form, pyridoxal. While this is a biologically active form of vitamin B6, it is unstable in liquid media. When cells are able to utilize either pyridoxine and/or pyridoxamine, they are preferred supplement versus pyridoxal. A number of classical media are now offered with a choice between pyridoxal and pyridoxine as the vitamin A source.

Sigma Aldrich - 287091

Packaging
1, 5 g in glass bottle

Sigma Aldrich - P9380

包装
1, 5, 25 g in poly bottle