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

• ChemBase ID: 105842
• Molecular Formular: C8H13ClN2O2
• Molecular Mass: 204.65402
• Monoisotopic Mass: 204.06655535
• SMILES: Cl.Cc1c(O)c(CN)c(CO)cn1
• Canonical SMILES: NCc1c(CO)cnc(c1O)C.Cl
• InChI: InChI=1S/C8H12N2O2.ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;/h3,11-12H,2,4,9H2,1H3;1H
• InChIKey: PFIPZKASKUWLHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride
• IUPAC Traditional name: pyridoxamine hydrochloride
• Synonyms: PYRIDOXAMINE

Database IDs

• CAS Number: 524-36-7
• PubChem SID: 162093860
• PubChem CID: 216452

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

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02194732

Cell Culture Reagent
Dihydrochloride
Purity: 99%
Crystalline