4-[4-(6-chloropyridazin-3-yl)phenyl]morpholine

• ChemBase ID: 114226
• Molecular Formular: C14H14ClN3O
• Molecular Mass: 275.73346
• Monoisotopic Mass: 275.08253976
• SMILES: n1nc(ccc1c1ccc(N2CCOCC2)cc1)Cl
• Canonical SMILES: Clc1ccc(nn1)c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C14H14ClN3O/c15-14-6-5-13(16-17-14)11-1-3-12(4-2-11)18-7-9-19-10-8-18/h1-6H,7-10H2
• InChIKey: OXFVGCYLXFDJFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(6-chloropyridazin-3-yl)phenyl]morpholine
• IUPAC Traditional name: 4-[4-(6-chloropyridazin-3-yl)phenyl]morpholine
• Synonyms: 4-[4-(6-chloropyridazin-3-yl)phenyl]morpholine

Database IDs

• MDL Number: MFCD16652701
• PubChem SID: 162099480
• PubChem CID: 33676176

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5226352
• LogD (pH = 7.4): 2.5226443
• Log P: 2.5226443
• Molar Refractivity: 77.8978 cm^3
• Polarizability: 29.900087 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.311

Product Information

• Purity: 95+%