N-methyl-N-(piperidin-4-yl)pyridazin-3-amine dihydrobromide

• ChemBase ID: 276006
• Molecular Formular: C10H18Br2N4
• Molecular Mass: 354.08472
• Monoisotopic Mass: 351.9898206
• SMILES: N(c1nnccc1)(C1CCNCC1)C.Br.Br
• Canonical SMILES: CN(c1cccnn1)C1CCNCC1.Br.Br
• InChI: InChI=1S/C10H16N4.2BrH/c1-14(9-4-7-11-8-5-9)10-3-2-6-12-13-10;;/h2-3,6,9,11H,4-5,7-8H2,1H3;2*1H
• InChIKey: VSOMNNOADTWOHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(piperidin-4-yl)pyridazin-3-amine dihydrobromide
• IUPAC Traditional name: N-methyl-N-(piperidin-4-yl)pyridazin-3-amine dihydrobromide
• Synonyms: N-methyl-N-(piperidin-4-yl)pyridazin-3-amine dihydrobromide

Database IDs

• MDL Number: MFCD18917428
• PubChem SID: 164331916
• PubChem CID: 54593964

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.110584
• LogD (pH = 7.4): -2.372943
• Log P: 0.12206302
• Molar Refractivity: 58.6629 cm^3
• Polarizability: 21.527632 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.019

Product Information

• Purity: 95%