(2-methoxyethyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 312403
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: n1ccc(CNCCOC)cc1
• Canonical SMILES: COCCNCc1ccncc1
• InChI: InChI=1S/C9H14N2O/c1-12-7-6-11-8-9-2-4-10-5-3-9/h2-5,11H,6-8H2,1H3
• InChIKey: VBNYWGQQJIOOFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(pyridin-4-ylmethyl)amine
• Synonyms: (2-methoxyethyl)(4-pyridinylmethyl)amine

Database IDs

• CAS Number: 892566-41-5
• MDL Number: MFCD07408151

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6866171
• LogD (pH = 7.4): -1.1111323
• Log P: 0.2669467
• Molar Refractivity: 48.1926 cm^3
• Polarizability: 19.01001 Å^3
• Polar Surface Area: 34.15 Å^2