{2-[(5,6-dichloropyridazin-4-yl)oxy]ethyl}dimethylamine

• ChemBase ID: 796782
• Molecular Formular: C8H11Cl2N3O
• Molecular Mass: 236.09844
• Monoisotopic Mass: 235.02791735
• SMILES: C(COc1cnnc(c1Cl)Cl)N(C)C
• Canonical SMILES: CN(CCOc1cnnc(c1Cl)Cl)C
• InChI: InChI=1S/C8H11Cl2N3O/c1-13(2)3-4-14-6-5-11-12-8(10)7(6)9/h5H,3-4H2,1-2H3
• InChIKey: ZPAYQUJCLSTUDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(5,6-dichloropyridazin-4-yl)oxy]ethyl}dimethylamine
• IUPAC Traditional name: {2-[(5,6-dichloropyridazin-4-yl)oxy]ethyl}dimethylamine
• Synonyms: 2-((5,6-Dichloropyridazin-4-yl)oxy)-N,N-diMethylethanaMine

Database IDs

• CAS Number: 1346698-29-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8612045
• LogD (pH = 7.4): -0.12204503
• Log P: 1.0650432
• Molar Refractivity: 58.9176 cm^3
• Polarizability: 22.09867 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%