N-(piperidin-4-yl)pyridazin-3-amine dihydrochloride

• ChemBase ID: 275498
• Molecular Formular: C9H16Cl2N4
• Molecular Mass: 251.15614
• Monoisotopic Mass: 250.07520189
• SMILES: n1c(NC2CCNCC2)cccn1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Nc1cccnn1.Cl.Cl
• InChI: InChI=1S/C9H14N4.2ClH/c1-2-9(13-11-5-1)12-8-3-6-10-7-4-8;;/h1-2,5,8,10H,3-4,6-7H2,(H,12,13);2*1H
• InChIKey: FDSYQAPDLGRFQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917373
• PubChem SID: 164331408
• PubChem CID: 54593704

CALCULATED PROPERTIES

• Acid pKa: 17.948599
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.7501101
• LogD (pH = 7.4): -3.0088933
• Log P: -0.5132027
• Molar Refractivity: 54.4281 cm^3
• Polarizability: 19.686737 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.013

Product Information

• Purity: 95%