1-(6-methoxypyridin-3-yl)ethan-1-amine

• ChemBase ID: 814787
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: C(C)(N)c1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)C(N)C
• InChI: InChI=1S/C8H12N2O/c1-6(9)7-3-4-8(11-2)10-5-7/h3-6H,9H2,1-2H3
• InChIKey: QZCQDZMQHCBXQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methoxypyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 1-(6-methoxypyridin-3-yl)ethanamine
• Synonyms: 1-(6-methoxypyridin-3-yl)ethanamine

Database IDs

• CAS Number: 579515-25-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2429748
• LogD (pH = 7.4): -1.2297864
• Log P: 0.7347031
• Molar Refractivity: 43.57 cm^3
• Polarizability: 17.154444 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%