(2-methoxypyridin-4-yl)methanamine dihydrochloride

• ChemBase ID: 292337
• Molecular Formular: C7H12Cl2N2O
• Molecular Mass: 211.08898
• Monoisotopic Mass: 210.03266837
• SMILES: Cl.Cl.COc1nccc(CN)c1
• Canonical SMILES: COc1nccc(c1)CN.Cl.Cl
• InChI: InChI=1S/C7H10N2O.2ClH/c1-10-7-4-6(5-8)2-3-9-7;;/h2-4H,5,8H2,1H3;2*1H
• InChIKey: CPKVLZRKNGBAHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxypyridin-4-yl)methanamine dihydrochloride
• IUPAC Traditional name: (2-methoxypyridin-4-yl)methanamine dihydrochloride
• Synonyms: (2-Methoxypyridin-4-yl)methanamine dihydrochloride

Database IDs

• CAS Number: 1029689-75-5
• PubChem SID: 180677868
• PubChem CID: 70701081

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6306946
• LogD (pH = 7.4): -1.4656171
• Log P: 0.31812808
• Molar Refractivity: 39.1512 cm^3
• Polarizability: 15.312296 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%