hydrogen pyridazin-3-amine chloride

• ChemBase ID: 293519
• Molecular Formular: C4H5ClN3-
• Molecular Mass: 130.5556
• Monoisotopic Mass: 130.01719986
• SMILES: c1ccnnc1N.[Cl-]
• Canonical SMILES: Nc1cccnn1.[Cl-]
• InChI: InChI=1S/C4H5N3.ClH/c5-4-2-1-3-6-7-4;/h1-3H,(H2,5,7);1H/p-1
• InChIKey: GCRUEXFJNQVIJM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 89203-22-5
• MDL Number: MFCD07368609
• PubChem SID: 180679050
• PubChem CID: 73994943

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

Product Information

• Purity: 95+%