4-(phthalazin-1-yloxy)aniline

• ChemBase ID: 247979
• Molecular Formular: C14H11N3O
• Molecular Mass: 237.25664
• Monoisotopic Mass: 237.09021199
• SMILES: c1(nncc2c1cccc2)Oc1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)Oc1nncc2c1cccc2
• InChI: InChI=1S/C14H11N3O/c15-11-5-7-12(8-6-11)18-14-13-4-2-1-3-10(13)9-16-17-14/h1-9H,15H2
• InChIKey: PJIGFAISFSRPCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(phthalazin-1-yloxy)aniline
• IUPAC Traditional name: 4-(phthalazin-1-yloxy)aniline
• Synonyms: 4-(phthalazin-1-yloxy)aniline

Database IDs

• MDL Number: MFCD01937326
• PubChem SID: 164303889
• PubChem CID: 6410689

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.016269
• LogD (pH = 7.4): 2.030909
• Log P: 2.0310988
• Molar Refractivity: 71.4693 cm^3
• Polarizability: 27.558456 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.463

Product Information

• Purity: 95%