2-(pyridin-4-yloxy)propan-1-amine

• ChemBase ID: 808801
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: C(C(C)Oc1ccncc1)N
• Canonical SMILES: NCC(Oc1ccncc1)C
• InChI: InChI=1S/C8H12N2O/c1-7(6-9)11-8-2-4-10-5-3-8/h2-5,7H,6,9H2,1H3
• InChIKey: NZECBXMLAQHZAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-4-yloxy)propan-1-amine
• IUPAC Traditional name: 2-(pyridin-4-yloxy)propan-1-amine
• Synonyms: 1-PROPANAMINE, 2-(4-PYRIDINYLOXY)-

Database IDs

• CAS Number: 886763-56-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4676297
• LogD (pH = 7.4): -1.722062
• Log P: 0.21749334
• Molar Refractivity: 42.7329 cm^3
• Polarizability: 17.152758 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%