3,5-dichloropyridazin-4-amine

• ChemBase ID: 78108
• Molecular Formular: C4H3Cl2N3
• Molecular Mass: 163.99272
• Monoisotopic Mass: 162.97040247
• SMILES: n1nc(c(c(c1)Cl)N)Cl
• Canonical SMILES: Nc1c(Cl)cnnc1Cl
• InChI: InChI=1S/C4H3Cl2N3/c5-2-1-8-9-4(6)3(2)7/h1H,(H2,7,8)
• InChIKey: RPFJGTZUJUOCCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloropyridazin-4-amine
• IUPAC Traditional name: 3,5-dichloropyridazin-4-amine
• Synonyms: 3,5-Dichloropyridazin-4-amine; 3,5-Dichloropyridazin-4-amine; 4-Amino-3,5-dichloropyridazine

Database IDs

• CAS Number: 53180-76-0
• PubChem SID: 162042930
• PubChem CID: 6403201

CALCULATED PROPERTIES

• Acid pKa: 19.777561
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.35905454
• LogD (pH = 7.4): 0.37493768
• Log P: 0.375144
• Molar Refractivity: 39.1357 cm^3
• Polarizability: 13.69579 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%