1-(2-methoxypyridin-3-yl)ethan-1-amine

• ChemBase ID: 814786
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: C(C)(N)c1c(nccc1)OC
• Canonical SMILES: COc1ncccc1C(N)C
• InChI: InChI=1S/C8H12N2O/c1-6(9)7-4-3-5-10-8(7)11-2/h3-6H,9H2,1-2H3
• InChIKey: SVHGXPRQYCQZDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxypyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 1-(2-methoxypyridin-3-yl)ethanamine
• Synonyms: 1-(2-methoxypyridin-3-yl)ethanamine

Database IDs

• CAS Number: 1060807-25-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1328807
• LogD (pH = 7.4): -0.73427916
• Log P: 0.7347031
• Molar Refractivity: 43.57 cm^3
• Polarizability: 17.154621 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%