[2,6-bis({[bis(piperidin-1-yl)phosphanyl]amino})phenyl]palladiumylium chloride

• ChemBase ID: 294795
• Molecular Formular: C26H45ClN6P2Pd
• Molecular Mass: 645.496222
• Monoisotopic Mass: 644.19043241
• SMILES: [Pd+]c1c(NP(N2CCCCC2)N2CCCCC2)cccc1NP(N1CCCCC1)N1CCCCC1.[Cl-]
• Canonical SMILES: [Pd+]c1c(cccc1NP(N1CCCCC1)N1CCCCC1)NP(N1CCCCC1)N1CCCCC1.[Cl-]
• InChI: InChI=1S/C26H45N6P2.ClH.Pd/c1-5-16-29(17-6-1)33(30-18-7-2-8-19-30)27-25-14-13-15-26(24-25)28-34(31-20-9-3-10-21-31)32-22-11-4-12-23-32;;/h13-15,27-28H,1-12,16-23H2;1H;/q;;+1/p-1
• InChIKey: CSXBAGCRLXPPDX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,6-bis({[bis(piperidin-1-yl)phosphanyl]amino})phenyl]palladiumylium chloride
• IUPAC Traditional name: [2,6-bis({[bis(piperidin-1-yl)phosphanyl]amino})phenyl]palladiumylium chloride
• Synonyms: (2,6-Bis((di(piperidin-1-yl)phosphino)amino)phenyl)palladium(II) chloride

Database IDs

• CAS Number: 955035-37-7
• MDL Number: MFCD17019351
• PubChem SID: 180680326
• PubChem CID: 71464073

CALCULATED PROPERTIES

• Acid pKa: 7.2187886
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.6371273
• LogD (pH = 7.4): 1.8794996
• Log P: 2.3234
• Molar Refractivity: 152.1331 cm^3
• Polarizability: 62.003242 Å^3
• Polar Surface Area: 37.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%