3-(pyridin-2-yloxy)propan-1-amine

• ChemBase ID: 802330
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: C(CCOc1ncccc1)N
• Canonical SMILES: NCCCOc1ccccn1
• InChI: InChI=1S/C8H12N2O/c9-5-3-7-11-8-4-1-2-6-10-8/h1-2,4,6H,3,5,7,9H2
• InChIKey: PMHZFXDMLGVRSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-2-yloxy)propan-1-amine
• IUPAC Traditional name: 3-(pyridin-2-yloxy)propan-1-amine
• Synonyms: 3-(PYRIDIN-2-YLOXY)PROPAN-1-AMINE

Database IDs

• CAS Number: 125767-31-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5620968
• LogD (pH = 7.4): -1.9625974
• Log P: 0.4553356
• Molar Refractivity: 43.493 cm^3
• Polarizability: 17.159216 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%