(6-methoxypyridin-2-yl)methanamine

• ChemBase ID: 264920
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1c(OC)cccc1CN
• Canonical SMILES: NCc1cccc(n1)OC
• InChI: InChI=1S/C7H10N2O/c1-10-7-4-2-3-6(5-8)9-7/h2-4H,5,8H2,1H3
• InChIKey: NCLKQBYCORYBBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxypyridin-2-yl)methanamine
• IUPAC Traditional name: (6-methoxypyridin-2-yl)methanamine
• Synonyms: (6-methoxypyridin-2-yl)methanamine

Database IDs

• CAS Number: 194658-13-4
• MDL Number: MFCD11617139
• PubChem SID: 164320830
• PubChem CID: 13882973

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3311186
• LogD (pH = 7.4): -0.75566727
• Log P: 0.39959997
• Molar Refractivity: 38.629 cm^3
• Polarizability: 15.313373 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.417

Product Information

• Purity: 95%; 98%