pyridazin-4-ylmethanamine

• ChemBase ID: 63078
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: n1cc(CN)ccn1
• Canonical SMILES: NCc1ccnnc1
• InChI: InChI=1S/C5H7N3/c6-3-5-1-2-7-8-4-5/h1-2,4H,3,6H2
• InChIKey: SEQBQXBBDMPPPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazin-4-ylmethanamine; (pyridazin-4-yl)methanamine
• IUPAC Traditional name: pyridazin-4-ylmethanamine
• Synonyms: 4-Aminomethylpyridazine; 4-PYRIDAZINEMETHANAMINE

Database IDs

• CAS Number: 519020-42-9
• MDL Number: MFCD09263257
• PubChem SID: 162028817
• PubChem CID: 15034997

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.9801528
• LogD (pH = 7.4): -2.6109965
• Log P: -1.0984281
• Molar Refractivity: 32.2378 cm^3
• Polarizability: 11.904329 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 98%