2-(pyridazin-3-yl)ethan-1-amine

• ChemBase ID: 802492
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: C(Cc1nnccc1)N
• Canonical SMILES: NCCc1cccnn1
• InChI: InChI=1S/C6H9N3/c7-4-3-6-2-1-5-8-9-6/h1-2,5H,3-4,7H2
• InChIKey: GKPGWUFVIZLEOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridazin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(pyridazin-3-yl)ethanamine
• Synonyms: 2-(PYRIDAZIN-3-YL)ETHAN-1-AMINE

Database IDs

• CAS Number: 114779-91-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7685742
• LogD (pH = 7.4): -2.834938
• Log P: -0.7799435
• Molar Refractivity: 36.415 cm^3
• Polarizability: 13.672719 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%