tris(hydroxylamine); phosphoric acid

• ChemBase ID: 130920
• Molecular Formular: H12N3O7P
• Molecular Mass: 197.084941
• Monoisotopic Mass: 197.04128637
• SMILES: NO.NO.NO.OP(=O)(O)O
• Canonical SMILES: OP(=O)(O)O.ON.ON.ON
• InChI: InChI=1S/3H3NO.H3O4P/c3*1-2;1-5(2,3)4/h3*2H,1H2;(H3,1,2,3,4)
• InChIKey: XBUFCZMOAHHGMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(hydroxylamine); phosphoric acid
• IUPAC Traditional name: tris(hydroxylamine); phosphoric acid
• Synonyms: Hydroxylammonium phosphate; Hydroxylamine phosphate; Hydroxylamine phosphate salt (3:1); 磷酸羟胺; 羟胺 磷酸酯; 羟胺 磷酸盐 (3:1)

Database IDs

• CAS Number: 20845-01-6
• EC Number: 244-077-0
• MDL Number: MFCD00066572
• PubChem SID: 24861058; 162225198; 24879436
• PubChem CID: 11252585

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: 169-171 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Nature polluting (N)
• UN Number: 3262
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-34-43-48/22-50
• Safety Statements: 26-36/37/39-45-61
• GHS Pictograms: GHS01; GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H201-H302-H312-H315-H317-H319-H351-H373-H400
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P370 + P380-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3262 8/PG 2

Product Information

• Purity: ≥95.0% (RT); 97%
• Impurities: ≤2% water
• Linear Formula: (NH2OH)3 · H3PO4

DETAILS

Sigma Aldrich - H6895

Biochem/physiol Actions
MAO 抑制剂；抑制血小板聚集

Sigma Aldrich - 55485

Packaging
250 g in poly bottle
Application
Reactant for:
• Aqueous preparation of rhenium diphosphate1
• Gas and solid state reactions with acetone2
• Hydroxylamine formation via photolysis3

Sigma Aldrich - 342351

Biochem/physiol Actions
MAO inhibitor; inhibits platelet aggregation
Packaging
25 g in poly bottle
Application
Reactant for:
• Aqueous preparation of rhenium diphosphate1
• Gas and solid state reactions with acetone2
• Hydroxylamine formation via photolysis3