2-(3,6-dichloropyridazin-4-yl)ethan-1-amine

• ChemBase ID: 801428
• Molecular Formular: C6H7Cl2N3
• Molecular Mass: 192.04588
• Monoisotopic Mass: 191.0017026
• SMILES: C(Cc1c(nnc(c1)Cl)Cl)N
• Canonical SMILES: NCCc1cc(Cl)nnc1Cl
• InChI: InChI=1S/C6H7Cl2N3/c7-5-3-4(1-2-9)6(8)11-10-5/h3H,1-2,9H2
• InChIKey: ITPXRCMFQSUAPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,6-dichloropyridazin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(3,6-dichloropyridazin-4-yl)ethanamine
• Synonyms: 2-(3,6-DICHLOROPYRIDAZIN-4-YL)ETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1545565
• LogD (pH = 7.4): -1.2605907
• Log P: 0.8386768
• Molar Refractivity: 48.725 cm^3
• Polarizability: 17.65123 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%