(16O4)sulfuric acid di(14N)amine

• ChemBase ID: 135313
• Molecular Formular: H8N2O4S
• Molecular Mass: 132.11432649
• Monoisotopic Mass: 132.02047775
• SMILES: [14NH3].[14NH3].[16OH]S(=[16O])(=[16O])[16OH]
• Canonical SMILES: [16OH]S(=[16O])(=[16O])[16OH].[14NH3].[14NH3]
• InChI: InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)/i2*1+0;1+0,2+0,3+0,4+0
• InChIKey: BFNBIHQBYMNNAN-VNZOPVORSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^6O₄)sulfuric acid di(^1^4N)amine
• IUPAC Traditional name: (^1^6O₄)sulfuric acid di(^1^4N)amine
• Synonyms: Ammonium-14N2,sulfate-16O4; 硫酸-16O4 铵-14N2

Database IDs

• PubChem SID: 162229587
• PubChem CID: 71309214

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: 6.279968 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: depleted

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 99.99 atom % 14N; 99.99 atom % 16O
• Description: 15N,18O-depleted
• Mol. Weight: mol wt 132.16 by atom % calculation
• Linear Formula: (14NH4)2S16O4

DETAILS

Sigma Aldrich - 608602

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.