Name: N-Succinimidyl 4-(4-maleimidophenyl)butyrate
SKU: 79886-55-8

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Basic Information

Molecular Structure:
CAS No.:	79886-55-8
Name:	N-Succinimidyl 4-(4-maleimidophenyl)butyrate

Formula:	C₁₈H₁₆N₂O₆
Molecular Weight:	356.335
Synonyms:	1H-Pyrrole-2,5-dione,1-[4-[4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl]phenyl]- (9CI);4-(p-Maleimidophenyl)butyric acid N-hydroxysuccinimide ester;NSC 344484;SMPB;Succinimidyl-4-(p-maleimidophenyl)butyrate;
Density:	1.45 g/cm³
Melting Point:	130-131°C
Boiling Point:	551.1 °C at 760 mmHg
Flash Point:	287.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	101.06000
LogP:	1.04880

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Specification

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