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4399-80-8 molecular structure
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1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

ChemBase ID: 163620
Molecular Formular: C9H18N2O2
Molecular Mass: 186.25142
Monoisotopic Mass: 186.13682783
SMILES and InChIs

SMILES:
N1(C(C(CC1(C)C)C(=O)N)(C)C)O
Canonical SMILES:
ON1C(C)(C)CC(C1(C)C)C(=O)N
InChI:
InChI=1S/C9H18N2O2/c1-8(2)5-6(7(10)12)9(3,4)11(8)13/h6,13H,5H2,1-4H3,(H2,10,12)
InChIKey:
UXDLYVBMRUIQCX-UHFFFAOYSA-N

Cite this record

CBID:163620 http://www.chembase.cn/molecule-163620.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
IUPAC Traditional name
1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
Synonyms
3-(Aminocarbonyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
2,2,5,5-Tetramethylpyrrolidine-1-oxyl-3-carboxamide
3-Carbamoylproxyl
NSC 152272
Pirolid
Proxad
3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrrolidine-1-yloxy
CAS Number
4399-80-8
PubChem SID
162257755
PubChem CID
92211

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C175880 external link Add to cart
PubChem 92211 external link
Data Source Data ID Price
TRC
C175880 external link Add to cart Please log in.
Data Source Data ID
PubChem 92211 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.731159  H Acceptors
H Donor LogD (pH = 5.5) -0.20439312 
LogD (pH = 7.4) -0.20293467  Log P -0.20291601 
Molar Refractivity 50.0211 cm3 Polarizability 19.94658 Å3
Polar Surface Area 66.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
146-149°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C175880 external link
A highly reactive spin-label.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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