propyl(pyridin-4-ylmethyl)amine

• ChemBase ID: 312281
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1ccc(CNCCC)cc1
• Canonical SMILES: CCCNCc1ccncc1
• InChI: InChI=1S/C9H14N2/c1-2-5-11-8-9-3-6-10-7-4-9/h3-4,6-7,11H,2,5,8H2,1H3
• InChIKey: AGSCVLYVYOYYLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: propyl(pyridin-4-ylmethyl)amine
• Synonyms: N-(4-pyridinylmethyl)-1-propanamine

Database IDs

• CAS Number: 70065-81-5
• MDL Number: MFCD04489485

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9888088
• LogD (pH = 7.4): -0.93988734
• Log P: 1.1932526
• Molar Refractivity: 46.4217 cm^3
• Polarizability: 18.342976 Å^3
• Polar Surface Area: 24.92 Å^2