4-(pyridin-2-yl)butan-1-amine

• ChemBase ID: 307390
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(CCCCN)cccc1
• Canonical SMILES: NCCCCc1ccccn1
• InChI: InChI=1S/C9H14N2/c10-7-3-1-5-9-6-2-4-8-11-9/h2,4,6,8H,1,3,5,7,10H2
• InChIKey: STIOUOHCWDHSJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yl)butan-1-amine
• IUPAC Traditional name: 2-pyridinebutaneamine
• Synonyms: (4-pyridin-2-ylbutyl)amine

Database IDs

• CAS Number: 34974-00-0
• MDL Number: MFCD07785855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4234965
• LogD (pH = 7.4): -1.6774411
• Log P: 0.9330563
• Molar Refractivity: 45.9077 cm^3
• Polarizability: 18.267582 Å^3
• Polar Surface Area: 38.91 Å^2