pyridazin-4-ylmethanamine hydrochloride

• ChemBase ID: 66761
• Molecular Formular: C5H8ClN3
• Molecular Mass: 145.59012
• Monoisotopic Mass: 145.04067495
• SMILES: C(N)c1cnncc1.Cl
• Canonical SMILES: NCc1ccnnc1.Cl
• InChI: InChI=1S/C5H7N3.ClH/c6-3-5-1-2-7-8-4-5;/h1-2,4H,3,6H2;1H
• InChIKey: STAZHFSPADHJCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazin-4-ylmethanamine hydrochloride
• IUPAC Traditional name: pyridazin-4-ylmethanamine hydrochloride
• Synonyms: 4-Pyridazinemethanamine hydrochloride; Pyridazin-4-ylmethanamine hydrochloride

Database IDs

• CAS Number: 1351479-13-4
• MDL Number: MFCD16988465
• PubChem SID: 162032497
• PubChem CID: 56763832

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+%