6-phenoxypyridin-3-amine dihydrochloride

• ChemBase ID: 260449
• Molecular Formular: C11H12Cl2N2O
• Molecular Mass: 259.13178
• Monoisotopic Mass: 258.03266837
• SMILES: n1c(Oc2ccccc2)ccc(c1)N.Cl.Cl
• Canonical SMILES: Nc1ccc(nc1)Oc1ccccc1.Cl.Cl
• InChI: InChI=1S/C11H10N2O.2ClH/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10;;/h1-8H,12H2;2*1H
• InChIKey: WZXICMOPVQECRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenoxypyridin-3-amine dihydrochloride
• IUPAC Traditional name: 6-phenoxypyridin-3-amine dihydrochloride
• Synonyms: 6-phenoxypyridin-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD12197209
• PubChem SID: 164316359
• PubChem CID: 45791588

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0210779
• LogD (pH = 7.4): 2.0213883
• Log P: 2.021392
• Molar Refractivity: 55.1558 cm^3
• Polarizability: 20.90325 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198 - 200°C
• Hydrophobicity(logP): 2.416

Product Information

• Purity: 95%