Home > Compound List > Compound details
37558-29-5 molecular structure
click picture or here to close

2,5-dioxopyrrolidin-1-yl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate

ChemBase ID: 176128
Molecular Formular: C13H18N2O5
Molecular Mass: 282.29242
Monoisotopic Mass: 282.12157169
SMILES and InChIs

SMILES:
O(N1C(=O)CCC1=O)C(=O)C1=CC(N(C1(C)C)O)(C)C
Canonical SMILES:
ON1C(C)(C)C=C(C1(C)C)C(=O)ON1C(=O)CCC1=O
InChI:
InChI=1S/C13H18N2O5/c1-12(2)7-8(13(3,4)15(12)19)11(18)20-14-9(16)5-6-10(14)17/h7,19H,5-6H2,1-4H3
InChIKey:
VDSVTMQVXNIMMJ-UHFFFAOYSA-N

Cite this record

CBID:176128 http://www.chembase.cn/molecule-176128.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dioxopyrrolidin-1-yl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate
IUPAC Traditional name
2,5-dioxopyrrolidin-1-yl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
Synonyms
3-[[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl]-2,5-dihydro-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxy
OXYL-1-NHS
2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl-3-carboxylic Acid N-Hydroxysuccinimide Ester
NSC 319633
Tempyo Ester
1-Oxyl-2,2,5,5-tetramethylpyrroline-3-carboxylate N-Hydroxysuccinimide Ester
CAS Number
37558-29-5
PubChem SID
164232038
PubChem CID
330571

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC O874000 external link Add to cart
PubChem 330571 external link
Data Source Data ID Price
TRC
O874000 external link Add to cart Please log in.
Data Source Data ID
PubChem 330571 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.75645  H Acceptors
H Donor LogD (pH = 5.5) 0.21323605 
LogD (pH = 7.4) 0.2132404  Log P 0.21324047 
Molar Refractivity 69.4746 cm3 Polarizability 27.284485 Å3
Polar Surface Area 87.15 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
174-177°C expand Show data source
Storage Condition
-20°C Freezer, Under Inert Atmosphere expand Show data source
Storage Warning
Moisture Sensitive: Desiccate 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 - O874000 external link
A highly amine reactive spin-label.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Spin-labeled transfer RNA, Hoffman, B. M.; Schofield, P.; Rich, A. Proc. Nat. Acad. Sci. U. S. 1969, 62, 1195-202.
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle