phosphoric acid (15N)amine

• ChemBase ID: 137892
• Molecular Formular: H6NO4P
• Molecular Mass: 116.0191099
• Monoisotopic Mass: 116.0004792
• SMILES: [15NH3].OP(=O)(O)O
• Canonical SMILES: OP(=O)(O)O.[15NH3]
• InChI: InChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)/i1+1
• InChIKey: LFVGISIMTYGQHF-YTBWXGASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phosphoric acid (^1^5N)amine
• IUPAC Traditional name: phosphoric acid (^1^5N)amine
• Synonyms: Ammonium-15N dihydrogen phosphate; 磷酸二氢铵-15N

Database IDs

• CAS Number: 287488-11-3
• MDL Number: MFCD00084194
• PubChem SID: 24872683; 162232153
• PubChem CID: 16213524

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 14.6519 cm^3
• Polarizability: 5.927813 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 °C(lit.)
• Mass Shift: M+1

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

Product Information

• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 116.00 by atom % calculation
• Linear Formula: (15NH4)H2PO4

DETAILS

Sigma Aldrich - 491780

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.