4-[(6-methylpyridazin-3-yl)oxy]aniline

• ChemBase ID: 279347
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: n1nc(ccc1Oc1ccc(N)cc1)C
• Canonical SMILES: Nc1ccc(cc1)Oc1ccc(nn1)C
• InChI: InChI=1S/C11H11N3O/c1-8-2-7-11(14-13-8)15-10-5-3-9(12)4-6-10/h2-7H,12H2,1H3
• InChIKey: NRSIMTITZCXRLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(6-methylpyridazin-3-yl)oxy]aniline
• IUPAC Traditional name: 4-[(6-methylpyridazin-3-yl)oxy]aniline
• Synonyms: 4-[(6-methylpyridazin-3-yl)oxy]aniline

Database IDs

• MDL Number: MFCD13187970
• PubChem SID: 164335257
• PubChem CID: 54595252

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.161792
• LogD (pH = 7.4): 1.1728495
• Log P: 1.1729923
• Molar Refractivity: 59.6106 cm^3
• Polarizability: 21.778107 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 0.788

Product Information

• Purity: 95%