copper(2+) ion tetraamine hydrate sulfate

• ChemBase ID: 150608
• Molecular Formular: CuH14N4O5S
• Molecular Mass: 245.74596
• Monoisotopic Mass: 244.99808807
• SMILES: N.N.N.N.O.[O-]S(=O)(=O)[O-].[Cu+2]
• Canonical SMILES: [O-]S(=O)(=O)[O-].N.N.N.N.O.[Cu+2]
• InChI: InChI=1S/Cu.4H3N.H2O4S.H2O/c;;;;;1-5(2,3)4;/h;4*1H3;(H2,1,2,3,4);1H2/q+2;;;;;;/p-2
• InChIKey: ABAHXVHZPFQSDZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion tetraamine hydrate sulfate
• IUPAC Traditional name: copper(2+) ion tetraamine hydrate sulfate
• Synonyms: Tetraamminecopper(II) sulfate monohydrate; 硫酸四氨合铜(II) 一水合物

Database IDs

• CAS Number: 10380-29-7
• EC Number: 238-177-3
• MDL Number: MFCD00150661
• PubChem SID: 162244769; 24861054
• PubChem CID: 61513

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks
• Density: 1.81 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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

• Purity: 98%
• Linear Formula: Cu(NH3)4SO4·H2O

DETAILS

Sigma Aldrich - 342327

Packaging
5 g in glass bottle