Benzenebutanoic acid,4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, 2,5-dioxo-1-pyrrolidinyl ester (79886-55-8)

The N-Succinimidyl 4-(4-maleimidophenyl)butyrate with the CAS number 79886-55-8 is also called Benzenebutanoic acid,4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, 2,5-dioxo-1-pyrrolidinyl ester. The IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoate. Its molecular formula is C₁₈H₁₆N₂O₆. This chemical belongs to the following product categories: (1)Maleimide Derivatives; (2)Cross Linking Reagents; (3)MTS & Sulfhydryl Active Reagents. It is a sulfhydryl and amino reactive heterobifunctional protein crosslinking reagent.

The properties of the N-Succinimidyl 4-(4-maleimidophenyl)butyrate are: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.14; (8)ACD/KOC (pH 7.4): 16.14; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 101.06 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 88.22 cm³; (15)Molar Volume: 245.6 cm³; (16)Polarizability: 34.97×10^-24cm³; (17)Surface Tension: 69.8 dyne/cm; (18)Enthalpy of Vaporization: 83.14 kJ/mol; (19)Vapour Pressure: 3.41×10^-12 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3N(OC(=O)CCCc2ccc(N1C(=O)\C=C/C1=O)cc2)C(=O)CC3
(2)InChI: InChI=1/C18H16N2O6/c21-14-8-9-15(22)19(14)13-6-4-12(5-7-13)2-1-3-18(25)26-20-16(23)10-11-17(20)24/h4-9H,1-3,10-11H2
(3)InChIKey: PMJWDPGOWBRILU-UHFFFAOYAO