(carboxyoxy)palladio hydrogen carbonate tetraamine

• ChemBase ID: 144188
• Molecular Formular: C2H14N4O6Pd
• Molecular Mass: 296.57576
• Monoisotopic Mass: 295.99482019
• SMILES: C(=O)(O)O[Pd]OC(=O)O.N.N.N.N
• Canonical SMILES: OC(=O)O[Pd]OC(=O)O.N.N.N.N
• InChI: InChI=1S/2CH2O3.4H3N.Pd/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);4*1H3;/q;;;;;;+2/p-2
• InChIKey: QYYPTZGPXKUKRM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (carboxyoxy)palladio hydrogen carbonate tetraamine
• IUPAC Traditional name: (carboxyoxy)palladio hydrogen carbonate tetraamine
• Synonyms: Tetraamminepalladium(II) hydrogencarbonate

Database IDs

• CAS Number: 134620-00-1
• PubChem SID: 162238405
• PubChem CID: 71311041

CALCULATED PROPERTIES

• Acid pKa: 6.140569
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.97974885
• LogD (pH = 7.4): -0.93165064
• Log P: 1.0738
• Molar Refractivity: 17.1412 cm^3
• Polarizability: 12.507658 Å^3
• Polar Surface Area: 93.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169-174 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41-43-48/22-50/53
• Safety Statements: 22-26-36/37/39-60-61
• GHS Pictograms: GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H317-H318-H373-H410
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P501

Product Information

• Purity: 99.99% trace metals basis
• Empirical Formula (Hill Notation): C2H14N4O6Pd

DETAILS

Sigma Aldrich - 732362

Packaging
1, 5, 25 g in glass bottle