2,2-dichloro-1,3-diaza-2-palladacyclopentane

• ChemBase ID: 796472
• Molecular Formular: C2H6Cl2N2Pd
• Molecular Mass: 235.40844
• Monoisotopic Mass: 233.89428956
• SMILES: [Pd]1(NCCN1)(Cl)Cl
• Canonical SMILES: Cl[Pd]1(Cl)NCCN1
• InChI: InChI=1S/C2H6N2.2ClH.Pd/c3-1-2-4;;;/h3-4H,1-2H2;2*1H;/q-2;;;+4/p-2
• InChIKey: QDKQKTHHGOJVSC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dichloro-1,3-diaza-2-palladacyclopentane
• IUPAC Traditional name: 2,2-dichloro-1,3-diaza-2-palladacyclopentane
• Synonyms: Dichloro(1,2-diaMinoethane)palladiuM

Database IDs

• CAS Number: 15020-99-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.2715351
• LogD (pH = 7.4): 0.88882905
• Log P: 0.9066
• Molar Refractivity: 49.5268 cm^3
• Polarizability: 16.036884 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%