(5-methoxypyridin-2-yl)methanamine

• ChemBase ID: 802116
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: C(N)c1ncc(cc1)OC
• Canonical SMILES: COc1ccc(nc1)CN
• InChI: InChI=1S/C7H10N2O/c1-10-7-3-2-6(4-8)9-5-7/h2-3,5H,4,8H2,1H3
• InChIKey: AKYKNKLVGMYOIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methoxypyridin-2-yl)methanamine
• IUPAC Traditional name: (5-methoxypyridin-2-yl)methanamine
• Synonyms: 1-(5-METHOXYPYRIDIN-2-YL)METHANAMINE

Database IDs

• CAS Number: 905306-69-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.932364
• LogD (pH = 7.4): -1.3624861
• Log P: -0.19485755
• Molar Refractivity: 38.3155 cm^3
• Polarizability: 15.310485 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%