copper(2+) ion diammonium hexahydrate disulfate

• ChemBase ID: 295263
• Molecular Formular: CuH20N2O14S2
• Molecular Mass: 399.8398
• Monoisotopic Mass: 398.96519283
• SMILES: [NH4+].[NH4+].O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+].[NH4+].O.O.O.O.O.O.[Cu+2]
• InChI: InChI=1S/Cu.2H3N.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h;2*1H3;2*(H2,1,2,3,4);6*1H2/q+2;;;;;;;;;;/p-2
• InChIKey: IHEZHABINDDXAE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion diammonium hexahydrate disulfate
• IUPAC Traditional name: copper(2+) ion diammonium hexahydrate disulfate
• Synonyms: Cupric ammonium sulfate; Ammonium copper(II) sulfate hexahydrate; 六水合硫酸铜(II)铵

Database IDs

• CAS Number: 13587-26-3
• MDL Number: MFCD00150440
• PubChem SID: 180680794
• PubChem CID: 73995021

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

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99%