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164225973 molecular structure
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triethylazanium 4-[(hydroxyphosphonoyl)oxy]-2,2,6,6-tetramethylpiperidin-1-olate

ChemBase ID: 170063
Molecular Formular: C15H35N2O4P
Molecular Mass: 338.423161
Monoisotopic Mass: 338.23344424
SMILES and InChIs

SMILES:
C1(CC(N(C(C1)(C)C)[O-])(C)C)OP(=O)O.[NH+](CC)(CC)CC
Canonical SMILES:
[O-]N1C(C)(C)CC(CC1(C)C)OP(=O)O.CC[NH+](CC)CC
InChI:
InChI=1S/C9H19NO4P.C6H15N/c1-8(2)5-7(14-15(12)13)6-9(3,4)10(8)11;1-4-7(5-2)6-3/h7,15H,5-6H2,1-4H3,(H,12,13);4-6H2,1-3H3/q-1;/p+1
InChIKey:
ORAYTBWHLUHNDS-UHFFFAOYSA-O

Cite this record

CBID:170063 http://www.chembase.cn/molecule-170063.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triethylazanium 4-[(hydroxyphosphonoyl)oxy]-2,2,6,6-tetramethylpiperidin-1-olate
IUPAC Traditional name
TEAH 4-[(hydroxyphosphonoyl)oxy]-2,2,6,6-tetramethylpiperidin-1-olate
Synonyms
4-Hydrophosphinyloxy-TEMPO, Triethylammonium Salt
PubChem SID
164225973
PubChem CID
71748792

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H714705 external link Add to cart
PubChem 71748792 external link
Data Source Data ID Price
TRC
H714705 external link Add to cart Please log in.
Data Source Data ID
PubChem 71748792 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8421023  H Acceptors
H Donor LogD (pH = 5.5) -2.8960166 
LogD (pH = 7.4) -2.9314284  Log P -1.5767484 
Molar Refractivity 55.9677 cm3 Polarizability 22.948727 Å3
Polar Surface Area 72.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
Brown Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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