N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine dihydrobromide

• ChemBase ID: 276455
• Molecular Formular: C11H20Br2N4
• Molecular Mass: 368.1113
• Monoisotopic Mass: 366.00547066
• SMILES: N1(c2nnc(cc2)C)CC(NC)CCC1.Br.Br
• Canonical SMILES: CNC1CCCN(C1)c1ccc(nn1)C.Br.Br
• InChI: InChI=1S/C11H18N4.2BrH/c1-9-5-6-11(14-13-9)15-7-3-4-10(8-15)12-2;;/h5-6,10,12H,3-4,7-8H2,1-2H3;2*1H
• InChIKey: NZCBPZHSXFUZFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine dihydrobromide
• IUPAC Traditional name: N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine dihydrobromide
• Synonyms: N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine dihydrobromide

Database IDs

• MDL Number: MFCD19382194
• PubChem SID: 164332365
• PubChem CID: 54594196

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.495896
• LogD (pH = 7.4): -1.525351
• Log P: 0.7108361
• Molar Refractivity: 63.0336 cm^3
• Polarizability: 23.292528 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 0.609

Product Information

• Purity: 95%