di(15N)ammonium sulfate

• ChemBase ID: 139551
• Molecular Formular: H8N2O4S
• Molecular Mass: 134.1263378
• Monoisotopic Mass: 134.01454753
• SMILES: [15NH4+].[15NH4+].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[15NH4+].[15NH4+]
• InChI: InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)/i2*1+1
• InChIKey: BFNBIHQBYMNNAN-ISOLYIDJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: di(^1^5N)ammonium sulfate
• IUPAC Traditional name: di(^1^5N)ammonium sulfate
• Synonyms: Ammonium-15N2,d8 sulfate

Database IDs

• MDL Number: MFCD05664313
• PubChem SID: 162233799; 24881481
• PubChem CID: 12598144

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

• Melting Point: >280 °C (dec.)(lit.)
• Mass Shift: M+10

Safety Information

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

• Isotopic Purity: 98 atom % D; 99 atom % 15N
• Mol. Weight: mol wt 142.00 by atom % calculation
• Linear Formula: (15ND4)2SO4

DETAILS

Sigma Aldrich - 593990

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.