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27048-01-7 molecular structure
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N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-2-iodoacetamide

ChemBase ID: 171659
Molecular Formular: C10H19IN2O2
Molecular Mass: 326.17453
Monoisotopic Mass: 326.04912586
SMILES and InChIs

SMILES:
C1C(N(C(C1NC(=O)CI)(C)C)O)(C)C
Canonical SMILES:
ICC(=O)NC1CC(N(C1(C)C)O)(C)C
InChI:
InChI=1S/C10H19IN2O2/c1-9(2)5-7(12-8(14)6-11)10(3,4)13(9)15/h7,15H,5-6H2,1-4H3,(H,12,14)
InChIKey:
XKHFOUJKRORWGS-UHFFFAOYSA-N

Cite this record

CBID:171659 http://www.chembase.cn/molecule-171659.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-2-iodoacetamide
IUPAC Traditional name
N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-2-iodoacetamide
Synonyms
[3-(2-Iodoacetamido)-2,2,5,5-tetramethyl-1-pyrolidinyloxy, free radical
3-(2'-Iodoacetamido)-2,2,5,5-tetramethyl-1-pyrrolidinyl-1-oxyl
3-(2-Iodoacetamido)-PROXYL
CAS Number
27048-01-7
PubChem SID
164227569
PubChem CID
4339884

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC I684000 external link Add to cart
PubChem 4339884 external link
Data Source Data ID Price
TRC
I684000 external link Add to cart Please log in.
Data Source Data ID
PubChem 4339884 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.2833185  H Acceptors
H Donor LogD (pH = 5.5) 0.7352019 
LogD (pH = 7.4) 0.7352022  Log P 0.73520267 
Molar Refractivity 67.616 cm3 Polarizability 26.867771 Å3
Polar Surface Area 52.57 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
DMSO expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
162-164°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Light sensitive expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - I684000 external link
The insertion of this spin Labelled compound into RNA enables the study of RNA - protein complexes.

REFERENCES

REFERENCES

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  • • Ramos, A. and Varani, G.: J. Am. Chem. Soc., 120, 10992-10993 (1998)
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PATENTS

PATENTS

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INTERNET

INTERNET

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