3-[(1-aminopropan-2-yl)oxy]pyridine

• ChemBase ID: 56279
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: c1c(cncc1)OC(CN)C
• Canonical SMILES: NCC(Oc1cccnc1)C
• InChI: InChI=1S/C8H12N2O/c1-7(5-9)11-8-3-2-4-10-6-8/h2-4,6-7H,5,9H2,1H3
• InChIKey: LYGNMSMUTCMNQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-aminopropan-2-yl)oxy]pyridine; 2-(pyridin-3-yloxy)propan-1-amine
• IUPAC Traditional name: 3-[(1-aminopropan-2-yl)oxy]pyridine; 2-(pyridin-3-yloxy)propan-1-amine
• Synonyms: [2-(Pyridin-3-yloxy)propyl]amine; 2-(pyridin-3-yloxy)propan-1-amine; 2-(Pyridin-3-yloxy)propylamine

Database IDs

• CAS Number: 886763-53-7
• MDL Number: MFCD03840189
• PubChem SID: 162061042
• PubChem CID: 3573610

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8184686
• LogD (pH = 7.4): -1.6808163
• Log P: 0.21749334
• Molar Refractivity: 42.7329 cm^3
• Polarizability: 17.156088 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%