(6-chloropyridazin-3-yl)methanamine

• ChemBase ID: 802493
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: C(N)c1nnc(cc1)Cl
• Canonical SMILES: NCc1ccc(nn1)Cl
• InChI: InChI=1S/C5H6ClN3/c6-5-2-1-4(3-7)8-9-5/h1-2H,3,7H2
• InChIKey: NXUGXZBODUKCKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloropyridazin-3-yl)methanamine
• IUPAC Traditional name: (6-chloropyridazin-3-yl)methanamine
• Synonyms: (6-CHLOROPYRIDAZIN-3-YL)METHANAMINE

Database IDs

• CAS Number: 871826-15-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7890117
• LogD (pH = 7.4): -1.1347988
• Log P: -0.19273438
• Molar Refractivity: 37.5817 cm^3
• Polarizability: 13.886489 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%