di(15N)ammonium hydrogen phosphate

• ChemBase ID: 136551
• Molecular Formular: H9N2O4P
• Molecular Mass: 134.0430388
• Monoisotopic Mass: 134.02406319
• SMILES: [15NH4+].[15NH4+].OP(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)(O)[O-].[15NH4+].[15NH4+]
• InChI: InChI=1S/2H3N.H3O4P/c;;1-5(2,3)4/h2*1H3;(H3,1,2,3,4)/i2*1+1
• InChIKey: MNNHAPBLZZVQHP-ISOLYIDJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: di(^1^5N)ammonium hydrogen phosphate
• IUPAC Traditional name: di(^1^5N)ammonium hydrogen phosphate
• Synonyms: Diammonium-15N2 hydrogen phosphate; 磷酸氢二铵-15N2

Database IDs

• CAS Number: 287488-11-3
• MDL Number: MFCD01321404
• PubChem SID: 162230821; 24872421
• PubChem CID: 16213409

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 12.4085 cm^3
• Polarizability: 5.685633 Å^3
• Polar Surface Area: 83.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 °C(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Isotopic Purity: 10 atom % 15N; 98 atom % 15N
• Mol. Weight: mol wt 132.25 by atom % calculation; mol wt 134.01 by atom % calculation
• Linear Formula: (15NH4)2HPO4

DETAILS

Sigma Aldrich - 730084

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.

Sigma Aldrich - 488755

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.