butyl(pyridin-4-ylmethyl)amine

• ChemBase ID: 312660
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1ccc(CNCCCC)cc1
• Canonical SMILES: CCCCNCc1ccncc1
• InChI: InChI=1S/C10H16N2/c1-2-3-6-12-9-10-4-7-11-8-5-10/h4-5,7-8,12H,2-3,6,9H2,1H3
• InChIKey: PFDJBAFCDODEGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 91010-46-7
• MDL Number: MFCD07409925

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5472172
• LogD (pH = 7.4): -0.5163681
• Log P: 1.6378212
• Molar Refractivity: 51.0227 cm^3
• Polarizability: 20.189604 Å^3
• Polar Surface Area: 24.92 Å^2