propyl(pyridin-3-ylmethyl)amine

• ChemBase ID: 312637
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1cc(CNCCC)ccc1
• Canonical SMILES: CCCNCc1cccnc1
• InChI: InChI=1S/C9H14N2/c1-2-5-10-7-9-4-3-6-11-8-9/h3-4,6,8,10H,2,5,7H2,1H3
• InChIKey: GCBOUAABYXKHIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: propyl(pyridin-3-ylmethyl)amine
• Synonyms: N-(3-pyridinylmethyl)-1-propanamine

Database IDs

• CAS Number: 19730-13-3
• MDL Number: MFCD07405051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.974478
• LogD (pH = 7.4): -0.84330696
• Log P: 1.1932526
• Molar Refractivity: 46.4217 cm^3
• Polarizability: 18.343239 Å^3
• Polar Surface Area: 24.92 Å^2