1-(pyridazin-3-yl)piperidin-3-amine dihydrochloride

• ChemBase ID: 275909
• Molecular Formular: C9H16Cl2N4
• Molecular Mass: 251.15614
• Monoisotopic Mass: 250.07520189
• SMILES: N1(c2nnccc2)CC(N)CCC1.Cl.Cl
• Canonical SMILES: NC1CCCN(C1)c1cccnn1.Cl.Cl
• InChI: InChI=1S/C9H14N4.2ClH/c10-8-3-2-6-13(7-8)9-4-1-5-11-12-9;;/h1,4-5,8H,2-3,6-7,10H2;2*1H
• InChIKey: PEJPCGYBIDAGIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridazin-3-yl)piperidin-3-amine dihydrochloride
• IUPAC Traditional name: 1-(pyridazin-3-yl)piperidin-3-amine dihydrochloride
• Synonyms: 1-(pyridazin-3-yl)piperidin-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD19381979
• PubChem SID: 164331819
• PubChem CID: 54593918

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.869283
• LogD (pH = 7.4): -2.215692
• Log P: 0.14688556
• Molar Refractivity: 53.6675 cm^3
• Polarizability: 19.686195 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.176

Product Information

• Purity: 95%