6-(4-chlorophenyl)pyridazin-3-amine

• ChemBase ID: 77539
• Molecular Formular: C10H8ClN3
• Molecular Mass: 205.64362
• Monoisotopic Mass: 205.04067495
• SMILES: n1nc(ccc1c1ccc(cc1)Cl)N
• Canonical SMILES: Clc1ccc(cc1)c1ccc(nn1)N
• InChI: InChI=1S/C10H8ClN3/c11-8-3-1-7(2-4-8)9-5-6-10(12)14-13-9/h1-6H,(H2,12,14)
• InChIKey: UPKPYBJMJKISBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-chlorophenyl)pyridazin-3-amine
• IUPAC Traditional name: 6-(4-chlorophenyl)pyridazin-3-amine
• Synonyms: 6-(4-Chlorophenyl)pyridazin-3-amine; 3-Amino-6-(4-chlorophenyl)pyridazine; 6-(4-Chlorophenyl)pyridazin-3-aMine

Database IDs

• CAS Number: 58059-47-5
• MDL Number: MFCD06801352
• PubChem SID: 162042411
• PubChem CID: 12257520

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1647913
• LogD (pH = 7.4): 2.1782806
• Log P: 2.1784554
• Molar Refractivity: 58.3473 cm^3
• Polarizability: 22.494703 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%