3,6-dichloropyridazin-4-amine

• ChemBase ID: 68950
• Molecular Formular: C4H3Cl2N3
• Molecular Mass: 163.99272
• Monoisotopic Mass: 162.97040247
• SMILES: c1(c(cc(nn1)Cl)N)Cl
• Canonical SMILES: Clc1nnc(c(c1)N)Cl
• InChI: InChI=1S/C4H3Cl2N3/c5-3-1-2(7)4(6)9-8-3/h1H,(H2,7,8)
• InChIKey: HODYDVHWWMTUEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dichloropyridazin-4-amine
• IUPAC Traditional name: 3,6-dichloropyridazin-4-amine
• Synonyms: 4-Amino-3,6-dichloropyridazine; 3,6-Dichloro-4-aMinopyridazine

Database IDs

• CAS Number: 823-58-5
• MDL Number: MFCD01647253
• PubChem SID: 162034680
• PubChem CID: 298498

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.595225
• LogD (pH = 7.4): 0.59532
• Log P: 0.5953212
• Molar Refractivity: 40.197 cm^3
• Polarizability: 13.7395315 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%