[6-(2-methoxyethoxy)pyridin-3-yl]methanamine

• ChemBase ID: 258706
• Molecular Formular: C9H14N2O2
• Molecular Mass: 182.21966
• Monoisotopic Mass: 182.1055277
• SMILES: n1c(ccc(c1)CN)OCCOC
• Canonical SMILES: COCCOc1ccc(cn1)CN
• InChI: InChI=1S/C9H14N2O2/c1-12-4-5-13-9-3-2-8(6-10)7-11-9/h2-3,7H,4-6,10H2,1H3
• InChIKey: UTHBNFPZTQYWNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(2-methoxyethoxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(2-methoxyethoxy)pyridin-3-yl]methanamine
• Synonyms: [6-(2-methoxyethoxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD09806953
• PubChem SID: 164314616
• PubChem CID: 20113673

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6706367
• LogD (pH = 7.4): -1.4768254
• Log P: 0.2711526
• Molar Refractivity: 50.1947 cm^3
• Polarizability: 19.692068 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.167

Product Information

• Purity: 95%