3-(3-aminopropoxy)pyridine

• ChemBase ID: 306844
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: n1cc(OCCCN)ccc1
• Canonical SMILES: NCCCOc1cccnc1
• InChI: InChI=1S/C8H12N2O/c9-4-2-6-11-8-3-1-5-10-7-8/h1,3,5,7H,2,4,6,9H2
• InChIKey: YMKBFDMRGWLFIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-aminopropoxy)pyridine
• IUPAC Traditional name: 3-(3-aminopropoxy)pyridine
• Synonyms: 3-(pyridin-3-yloxy)propan-1-amine

Database IDs

• CAS Number: 112086-55-2
• MDL Number: MFCD08059775

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2253041
• LogD (pH = 7.4): -2.5580368
• Log P: -0.13912195
• Molar Refractivity: 43.1795 cm^3
• Polarizability: 17.156292 Å^3
• Polar Surface Area: 48.14 Å^2