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20845-01-6 molecular structure
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tris(hydroxylamine); phosphoric acid

ChemBase ID: 130920
Molecular Formular: H12N3O7P
Molecular Mass: 197.084941
Monoisotopic Mass: 197.04128637
SMILES and InChIs

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

Cite this record

CBID:130920 http://www.chembase.cn/molecule-130920.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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)
CAS Number
20845-01-6
EC Number
244-077-0
MDL Number
MFCD00066572
PubChem SID
24879436
162225198
24861058
PubChem CID
11252585

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11252585 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7961261  H Acceptors
H Donor LogD (pH = 5.5) -3.3916447 
LogD (pH = 7.4) -3.9718332  Log P -1.0201038 
Molar Refractivity 14.6519 cm3 Polarizability 5.927813 Å3
Polar Surface Area 77.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
169-171 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
UN Number
3262 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
22-34-43-48/22-50 expand Show data source
Safety Statements
26-36/37/39-45-61 expand Show data source
GHS Pictograms
GHS01 expand Show data source
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H201-H302-H312-H315-H317-H319-H351-H373-H400 expand Show data source
GHS Precautionary statements
P273-P280-P305 + P351 + P338-P370 + P380-P501 expand Show data source
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 expand Show data source
RID/ADR
UN 3262 8/PG 2 expand Show data source
Purity
≥95.0% (RT) expand Show data source
97% expand Show data source
Impurities
≤2% water expand Show data source
Linear Formula
(NH2OH)3 · H3PO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - H6895 external link
Biochem/physiol Actions
MAO 抑制剂;抑制血小板聚集
Sigma Aldrich - 55485 external link
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 external link
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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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