pyridazin-3-amine hydrochloride

• ChemBase ID: 66499
• Molecular Formular: C4H6ClN3
• Molecular Mass: 131.56354
• Monoisotopic Mass: 131.02502489
• SMILES: c1(cccnn1)N.Cl
• Canonical SMILES: Nc1cccnn1.Cl
• InChI: InChI=1S/C4H5N3.ClH/c5-4-2-1-3-6-7-4;/h1-3H,(H2,5,7);1H
• InChIKey: GCRUEXFJNQVIJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazin-3-amine hydrochloride
• IUPAC Traditional name: pyridazin-3-amine hydrochloride
• Synonyms: 3-Aminopyridazine hydrochloride

Database IDs

• CAS Number: 89203-22-5
• PubChem SID: 162032237
• PubChem CID: 16427157

CALCULATED PROPERTIES

• Acid pKa: 19.855371
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.49242774
• LogD (pH = 7.4): -0.4591068
• Log P: -0.45866498
• Molar Refractivity: 28.7783 cm^3
• Polarizability: 9.69062 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+%; 98%