(2H2)sulfuric acid; bis((2H3)amine)

• ChemBase ID: 146517
• Molecular Formular: H8N2O4S
• Molecular Mass: 132.13952
• Monoisotopic Mass: 132.02047775
• SMILES: N.N.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.N.N
• InChI: InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)
• InChIKey: BFNBIHQBYMNNAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₂)sulfuric acid; bis((^2H₃)amine)
• IUPAC Traditional name: (^2H₂)sulfuric acid; bis((^2H₃)amine)
• Synonyms: Ammonium-d8 sulfate; 硫酸铵-d8

Database IDs

• CAS Number: 13814-01-2
• MDL Number: MFCD00084116
• PubChem SID: 24850522; 162240712
• PubChem CID: 56845414

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 13.7708 cm^3
• Polarizability: 6.683168 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >280 °C (dec.)(lit.)
• Mass Shift: M+8

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 140.03 by atom % calculation
• Linear Formula: (ND4)2SO4

DETAILS

Sigma Aldrich - 175684

Packaging
5 g in glass bottle