(acetyloxy)palladio acetate tetraamine dihydrate

• ChemBase ID: 150404
• Molecular Formular: C4H22N4O6Pd
• Molecular Mass: 328.66068
• Monoisotopic Mass: 328.05742044
• SMILES: CC(=O)O[Pd]OC(=O)C.N.N.N.N.O.O
• Canonical SMILES: CC(=O)O[Pd]OC(=O)C.N.N.N.N.O.O
• InChI: InChI=1S/2C2H4O2.4H3N.2H2O.Pd/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);4*1H3;2*1H2;/q;;;;;;;;+2/p-2
• InChIKey: TXKHLAUDWHNZBC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)palladio acetate tetraamine dihydrate
• IUPAC Traditional name: (acetyloxy)palladio acetate tetraamine dihydrate
• Synonyms: Tetraamminepalladium(II) acetate; 四氨合钯(II)乙酸

Database IDs

• CAS Number: 61495-96-3
• EC Number: 262-819-1
• MDL Number: MFCD00274619
• PubChem SID: 162244565; 24867297
• PubChem CID: 16212851

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.1134
• LogD (pH = 7.4): -0.1134
• Log P: -0.1134
• Molar Refractivity: 23.4322 cm^3
• Polarizability: 14.697714 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Physical Property

• Melting Point: 183-186 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: Pd(NH3)4(CH3CO2)2

DETAILS

Sigma Aldrich - 436380

Packaging
1 g in glass bottle