2-(pyridazin-4-yl)ethan-1-amine

• ChemBase ID: 802690
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: C(Cc1cnncc1)N
• Canonical SMILES: NCCc1ccnnc1
• InChI: InChI=1S/C6H9N3/c7-3-1-6-2-4-8-9-5-6/h2,4-5H,1,3,7H2
• InChIKey: XLHRTJGOOHOOGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridazin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(pyridazin-4-yl)ethanamine
• Synonyms: 2-PYRIDAZIN-4-YLETHANAMINE

Database IDs

• CAS Number: 1083337-92-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.811468
• LogD (pH = 7.4): -2.9904292
• Log P: -0.80976695
• Molar Refractivity: 36.9928 cm^3
• Polarizability: 13.6708975 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%