cadmium(2+) ion bis(4-cyclohexylbutanoate)

• ChemBase ID: 110625
• Molecular Formular: C20H34CdO4
• Molecular Mass: 450.89256
• Monoisotopic Mass: 452.14906757
• SMILES: [Cd+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1
• Canonical SMILES: [O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1.[Cd+2]
• InChI: InChI=1S/2C10H18O2.Cd/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
• InChIKey: QLTARLRQJWXGGA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cadmium(2+) ion bis(4-cyclohexylbutanoate)
• IUPAC Traditional name: cadmium(2+) bis(4-cyclohexylbutanoate); cadmium(2+) ion bis(4-cyclohexylbutanoate)
• Synonyms: CADMIUM CYCLOHEXANEBUTYRATE, 99%; Cyclohexanebutyric acid cadmium salt; 4-Cyclohexylbutyric acid cadmium salt; Cadmium cyclohexanebutyrate; 环己烷丁酸镉

Database IDs

• CAS Number: 55700-14-6
• EC Number: 259-767-7
• MDL Number: MFCD00036398
• PubChem SID: 162088957
• PubChem CID: 108757

CALCULATED PROPERTIES

• Acid pKa: 5.0541363
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3894231
• LogD (pH = 7.4): 0.6476406
• Log P: 2.9678953
• Molar Refractivity: 58.4601 cm^3
• Polarizability: 18.819902 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN2570
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-50/53
• Safety Statements: 60-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H400-H410-H302-H312-H332
• GHS Precautionary statements: P261-P280-P302+P352-P304+P340-P322-P501A

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05215746

MP Biomedicals Rare Chemical collection