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

• ChemBase ID: 258354
• Molecular Formular: C9H14N2O2
• Molecular Mass: 182.21966
• Monoisotopic Mass: 182.1055277
• SMILES: c1(c(CN)cccn1)OCCOC
• Canonical SMILES: COCCOc1ncccc1CN
• InChI: InChI=1S/C9H14N2O2/c1-12-5-6-13-9-8(7-10)3-2-4-11-9/h2-4H,5-7,10H2,1H3
• InChIKey: IOWOFWHVCQMKGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09816953
• PubChem SID: 164314264
• PubChem CID: 20118179

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.5061786
• LogD (pH = 7.4): -0.9751661
• Log P: 0.2711526
• Molar Refractivity: 50.1947 cm^3
• Polarizability: 19.69223 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%