1-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexyl]-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 112613
• Molecular Formular: C14H16N2O4
• Molecular Mass: 276.28784
• Monoisotopic Mass: 276.111007
• SMILES: O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C14H16N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h5-8H,1-4,9-10H2
• InChIKey: PYVHLZLQVWXBDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexyl]-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1,6-bismaleimidohexane
• Synonyms: 1,6-HEXANE DIMALEIMIDE; [N,N''-Bis(2-maleimidoethyl)]diethylenetriaminepentaacetic Acid Diamide, 90%; BMH; 1,6-Bismaleimidohexane

Database IDs

• CAS Number: 4856-87-5
• EC Number: 225-449-1
• MDL Number: MFCD00047122
• PubChem SID: 162097467
• PubChem CID: 20992

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.47048107
• LogD (pH = 7.4): 0.47048107
• Log P: 0.47048107
• Molar Refractivity: 73.2392 cm^3
• Polarizability: 27.212555 Å^3
• Polar Surface Area: 74.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144°C

Safety Information

• Storage Condition: Refrigerator
• RTECS: ON5520000
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05224902

MP Biomedicals Rare Chemical collection

Toronto Research Chemicals - B475200

A heterobifunctional crosslinking reagent.