(aminooxy)phosphonic acid

• ChemBase ID: 105574
• Molecular Formular: H4NO4P
• Molecular Mass: 113.009821
• Monoisotopic Mass: 112.98779424
• SMILES: NOP(=O)(O)O
• Canonical SMILES: NOP(=O)(O)O
• InChI: InChI=1S/H4NO4P/c1-5-6(2,3)4/h1H2,(H2,2,3,4)
• InChIKey: JZTPOMIFAFKKSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (aminooxy)phosphonic acid
• IUPAC Traditional name: PNH4O4
• Synonyms: Ammonium Dihydrogen Phosphate; AMMONIUM PHOSPHATE MONOBASIC ACS REAGENT GRADE; AMMONIUM PHOSPHATE MONOBASIC, HPLC GRADE

Database IDs

• CAS Number: 7722-76-1
• EC Number: 231-764-5
• PubChem SID: 162094204
• PubChem CID: 440067

CALCULATED PROPERTIES

• Acid pKa: 0.049187314
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.3690653
• LogD (pH = 7.4): -4.609738
• Log P: -2.2841263
• Molar Refractivity: 18.7216 cm^3
• Polarizability: 7.599104 Å^3
• Polar Surface Area: 92.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 °C (374 °F)
• Boiling Point: Decomposes
• Density: 1.803 (water = 1)
• Vapor Pressure: Extremely low

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

Product Information

• Grade: ACS; HPLC; REAGENT

DETAILS

MP Biomedicals - 02191407

Monobasic
ACS Reagent Grade
Crystalline