(3-methoxypyridin-2-yl)methanamine

• ChemBase ID: 807158
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: NCc1ncccc1OC
• Canonical SMILES: COc1cccnc1CN
• InChI: InChI=1S/C7H10N2O/c1-10-7-3-2-4-9-6(7)5-8/h2-4H,5,8H2,1H3
• InChIKey: YYZWARUBOQAMQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxypyridin-2-yl)methanamine
• IUPAC Traditional name: (3-methoxypyridin-2-yl)methanamine
• Synonyms: C-(3-METHOXY-PYRIDIN-2-YL)-METHYLAMINE

Database IDs

• CAS Number: 595560-87-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6083517
• LogD (pH = 7.4): -0.91540605
• Log P: -0.19485755
• Molar Refractivity: 38.3155 cm^3
• Polarizability: 15.31068 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%