6-chloro-N-ethylpyridazin-3-amine

• ChemBase ID: 37178
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: c1cc(nnc1Cl)NCC
• Canonical SMILES: CCNc1ccc(nn1)Cl
• InChI: InChI=1S/C6H8ClN3/c1-2-8-6-4-3-5(7)9-10-6/h3-4H,2H2,1H3,(H,8,10)
• InChIKey: STAKPHFAQGICDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-ethylpyridazin-3-amine
• IUPAC Traditional name: 6-chloro-N-ethylpyridazin-3-amine
• Synonyms: 6-Chloro-N-ethylpyridazin-3-amine; 6-Chloro-N-ethylpyridazin-3-amine; 3-Chloro-6-(ethylamino)pyridazine

Database IDs

• CAS Number: 68588-39-6
• MDL Number: MFCD08363097
• PubChem SID: 161000485
• PubChem CID: 12446653

CALCULATED PROPERTIES

• Acid pKa: 19.279762
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0237616
• LogD (pH = 7.4): 1.024065
• Log P: 1.024069
• Molar Refractivity: 44.8864 cm^3
• Polarizability: 15.338268 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false