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55750-61-3 molecular structure
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2,5-dioxopyrrolidin-1-yl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetate

ChemBase ID: 155225
Molecular Formular: C10H8N2O6
Molecular Mass: 252.18032
Monoisotopic Mass: 252.03823599
SMILES and InChIs

SMILES:
C1CC(=O)N(C1=O)OC(=O)CN1C(=O)C=CC1=O
Canonical SMILES:
O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChI:
InChI=1S/C10H8N2O6/c13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16/h1-2H,3-5H2
InChIKey:
TYKASZBHFXBROF-UHFFFAOYSA-N

Cite this record

CBID:155225 http://www.chembase.cn/molecule-155225.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dioxopyrrolidin-1-yl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetate
IUPAC Traditional name
2,5-dioxopyrrolidin-1-yl 2-(2,5-dioxopyrrol-1-yl)acetate
Synonyms
1-[2-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-1H-pyrrole-2,5-dione
N-(α-Maleimidoacetoxy)succimide
Maleimidoacetic Acid N-Hydroxysuccinimide Ester
Maleimidoacetic acid N-hydroxysuccinimide ester
CAS Number
55750-61-3
MDL Number
MFCD00133523
PubChem SID
162249363
24896882
PubChem CID
3299229

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3299229 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.705246  H Acceptors
H Donor LogD (pH = 5.5) -1.5646582 
LogD (pH = 7.4) -1.5646582  Log P -1.5646582 
Molar Refractivity 54.8865 cm3 Polarizability 21.121231 Å3
Polar Surface Area 101.06 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
White to Off-White Solid expand Show data source
Melting Point
180-183°C expand Show data source
Storage Condition
-20°C Freezer, Under Inert Atmosphere expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C10H8N2O6 expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M125000 external link
A hetero-bifunctional cross-linking reagent for the preparation of protein-protein or protein-hapten conjugates.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kitagawa, T., et al.: Chem. Pharm. Bull., 29, 1130 (1981)
  • • Sayre., L.M., et al.: J. Med. Chem., 27, 1325 (1984)
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PATENTS

PATENTS

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INTERNET

INTERNET

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