1-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethyl}-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 162337
• Molecular Formular: C12H12N2O5
• Molecular Mass: 264.23408
• Monoisotopic Mass: 264.07462149
• SMILES: C(COCCN1C(=O)C=CC1=O)N1C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1CCOCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C12H12N2O5/c15-9-1-2-10(16)13(9)5-7-19-8-6-14-11(17)3-4-12(14)18/h1-4H,5-8H2
• InChIKey: VWGJOEJUQXVFPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethyl}-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-{2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl}pyrrole-2,5-dione
• Synonyms: 1,1'-[Oxybis(methylene)]bis-1H-pyrrole-2,5-dione; BMME; N,N'-(Oxydimethylene)bismaleimide; α,α'-(Bismaleimido)dimethyl Ether; Bis(maleimido)methyl Ether

Database IDs

• CAS Number: 15209-14-0
• PubChem SID: 162256472
• PubChem CID: 14474488

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0429542
• LogD (pH = 7.4): -1.0429542
• Log P: -1.0429542
• Molar Refractivity: 65.5707 cm^3
• Polarizability: 24.31297 Å^3
• Polar Surface Area: 83.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Methanol
• Apperance: Off-White Solid
• Melting Point: 128-130°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - B476250

A short sulfhydryl reactive homobifunctional crosslinking reagent.

REFERENCES

• Wilson, J., et al.: J. Mol. Biol., 264, 743 (1996)