(carboxyoxy)platinio hydrogen carbonate tetraamine

• ChemBase ID: 134653
• Molecular Formular: C2H14N4O6Pt
• Molecular Mass: 385.23376
• Monoisotopic Mass: 385.05612519
• SMILES: C(=O)(O)O[Pt]OC(=O)O.N.N.N.N
• Canonical SMILES: OC(=O)O[Pt]OC(=O)O.N.N.N.N
• InChI: InChI=1S/2CH2O3.4H3N.Pt/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);4*1H3;/q;;;;;;+2/p-2
• InChIKey: IXGOCCWMKLVVSM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (carboxyoxy)platinio hydrogen carbonate tetraamine
• IUPAC Traditional name: (carboxyoxy)platinio hydrogen carbonate tetraamine
• Synonyms: Tetraammineplatinum(II) hydrogencarbonate; 四氨合碳酸氢铂(II)

Database IDs

• CAS Number: 123439-82-7
• MDL Number: MFCD03788256
• PubChem SID: 24881407; 162228929
• PubChem CID: 60161111

CALCULATED PROPERTIES

• Acid pKa: 6.140569
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0097488
• LogD (pH = 7.4): -0.90165067
• Log P: 1.1038
• Molar Refractivity: 17.1412 cm^3
• Polarizability: 15.317893 Å^3
• Polar Surface Area: 93.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 236 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-36
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318-H412
• GHS Precautionary statements: P273-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Purity: 99.99% trace metals basis
• Empirical Formula (Hill Notation): C2H14N4O6Pt

DETAILS

Sigma Aldrich - 592706

Physical form
Macro-agglomeration of ultra-fine particles, with size about 100 nanometers.