6-bromo-N-ethylpyridazin-3-amine

• ChemBase ID: 309280
• Molecular Formular: C6H8BrN3
• Molecular Mass: 202.05182
• Monoisotopic Mass: 200.99015927
• SMILES: n1nc(Br)ccc1NCC
• Canonical SMILES: CCNc1ccc(nn1)Br
• InChI: InChI=1S/C6H8BrN3/c1-2-8-6-4-3-5(7)9-10-6/h3-4H,2H2,1H3,(H,8,10)
• InChIKey: BHZMZKHAILRMRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N-ethylpyridazin-3-amine
• IUPAC Traditional name: 6-bromo-N-ethylpyridazin-3-amine
• Synonyms: 6-bromo-N-ethyl-3-pyridazinamine

Database IDs

• CAS Number: 111454-69-4
• MDL Number: MFCD16556124

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1737394
• LogD (pH = 7.4): 1.1741168
• Log P: 1.1741217
• Molar Refractivity: 47.4853 cm^3
• Polarizability: 16.328989 Å^3
• Polar Surface Area: 37.81 Å^2