ammonium sodium tetrahydrate hydrogen phosphate

• ChemBase ID: 303499
• Molecular Formular: H13NNaO8P
• Molecular Mass: 209.068651
• Monoisotopic Mass: 209.02764729
• SMILES: [NH4+].O.O.O.O.OP(=O)([O-])[O-].[Na+]
• Canonical SMILES: [O-]P(=O)(O)[O-].[NH4+].O.O.O.O.[Na+]
• InChI: InChI=1S/H3N.Na.H3O4P.4H2O/c;;1-5(2,3)4;;;;/h1H3;;(H3,1,2,3,4);4*1H2/q;+1;;;;;/p-1
• InChIKey: IQTQISLCLWJRPM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium sodium tetrahydrate hydrogen phosphate
• IUPAC Traditional name: ammonium sodium tetrahydrate hydrogen phosphate
• Synonyms: Ammonium sodium hydrogen phosphate; Sodium ammonium phosphate; Sodium ammonium hydrogen phosphate tetrahydrate, Reagent Grade; 四水磷酸氢铵钠, 试剂级

Database IDs

• CAS Number: 7783-13-3
• MDL Number: MFCD00066970

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

• Solubility: Soluble in water. Insoluble in alcohol
• Apperance: Crystalline
• Melting Point: 79°C dec.
• Density: 1.544

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A