pyridazin-4-amine

• ChemBase ID: 64494
• Molecular Formular: C4H5N3
• Molecular Mass: 95.1026
• Monoisotopic Mass: 95.04834718
• SMILES: c1nncc(c1)N
• Canonical SMILES: Nc1ccnnc1
• InChI: InChI=1S/C4H5N3/c5-4-1-2-6-7-3-4/h1-3H,(H2,5,6)
• InChIKey: LUCGBEPEAUHERV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazin-4-amine
• IUPAC Traditional name: 4-pyridazinamine
• Synonyms: Pyridazin-4-amine; 4-Aminopyridazine

Database IDs

• CAS Number: 20744-39-2
• MDL Number: MFCD00053558; MFCD00233975
• PubChem SID: 162030233
• PubChem CID: 298492

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0487468
• LogD (pH = 7.4): -1.1002773
• Log P: -1.0531225
• Molar Refractivity: 28.4648 cm^3
• Polarizability: 9.686669 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%