N-(2-aminoethyl)pyridazin-3-amine

• ChemBase ID: 269374
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: n1ncccc1NCCN
• Canonical SMILES: NCCNc1cccnn1
• InChI: InChI=1S/C6H10N4/c7-3-5-8-6-2-1-4-9-10-6/h1-2,4H,3,5,7H2,(H,8,10)
• InChIKey: WADBRFVVWDZQLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)pyridazin-3-amine
• IUPAC Traditional name: N-(2-aminoethyl)pyridazin-3-amine
• Synonyms: N-(2-aminoethyl)pyridazin-3-amine

Database IDs

• MDL Number: MFCD16767528
• PubChem SID: 164325284
• PubChem CID: 22118660

CALCULATED PROPERTIES

• Acid pKa: 18.125584
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.9537904
• LogD (pH = 7.4): -3.1099613
• Log P: -0.95394474
• Molar Refractivity: 42.2215 cm^3
• Polarizability: 14.892769 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.315

Product Information

• Purity: 95%