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Cyclohexanecarboxylicacid, 4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-,2,5-dioxo-1-pyrrolidinyl ester (64987-85-5)

Identification
Name:Cyclohexanecarboxylicacid, 4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-,2,5-dioxo-1-pyrrolidinyl ester
Synonyms:1H-Pyrrole-2,5-dione,1-[[4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]cyclohexyl]methyl]- (9CI);4-(N-Maleimidomethyl)cyclohexane-1-carboxylic acid N-hydroxysuccinimide ester;NSC 344483;SMCC;Succinimidyl 4-(N-maleimidomethyl)cyclohexanecarboxylate;
CAS:64987-85-5
Molecular Formula: C16H18N2O6
Molecular Weight: 334.32392
InChI: InChI=1S/C16H18N2O6/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h5-6,10-11H,1-4,7-9H2
Molecular Structure: (C16H18N2O6) 1H-Pyrrole-2,5-dione,1-[[4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]cyclohexyl]methyl]- (9CI);4-(N-M...
Properties
Melting Point: 180-182 ºC
Density:1.42 g/cm3
Refractive index:1.598
Water Solubility:chloroform: 50 mg/mL,DMF: soluble
Solubility:chloroform: 50 mg/mL,DMF: soluble
Appearance:white crystalline solid
Specification:

The cas register number of N-Succinimidyl 4-(N-maleimidomethyl)cyclohexane-1-carboxylate is 64987-85-5. It also can be called as  4-(N-Maleimidomethyl)cyclohexanecarboxylic acid N-hydroxysuccinimide ester and the IUPAC Name about this chemical is (2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate. It belongs to the following product categories, such as Maleimide Derivatives, Cross Linking Reagents, MTS & Sulfhydryl Active Reagents and so on. This chemical can be used in the preparation of rabbit Fab'-peroxidase conjugates.

Physical properties about N-Succinimidyl 4-(N-maleimidomethyl)cyclohexane-1-carboxylate are: (1)ACD/LogP: -0.39; (2)ACD/LogD (pH 5.5): -0.39; (3)ACD/LogD (pH 7.4): -0.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.65; (7)ACD/KOC (pH 7.4): 14.65; (8)#H bond acceptors: 8; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 101.06Å2; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 79.95 cm3; (13)Molar Volume: 234.3 cm3; (14)Polarizability: 31.69x10-24cm3; (15)Surface Tension: 64.7 dyne/cm; (16)Enthalpy of Vaporization: 77.06 kJ/mol; (17)Vapour Pressure: 3.38E-10 mmHg at 25°C.

Uses of N-Succinimidyl 4-(N-maleimidomethyl)cyclohexane-1-carboxylate: it can be used to produce dimyristoyl-N-{[4-(maleimidomethyl)cyclohexyl]carbonyl}phosphatidylethanolamine with Dimyristoyl-glycerin-a-kephalin at Ambient temperature. This reaction will need reagent triethylamine and solvent CHCl3 with reaction time of 24 hours. The yield is about 52%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, 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)C2CCC(CN1C(=O)\C=C/C1=O)CC2)C(=O)CC3
(2)InChI: InChI=1/C16H18N2O6/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h5-6,10-11H,1-4,7-9H2
(3)InChIKey: JJAHTWIKCUJRDK-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C16H18N2O6/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h5-6,10-11H,1-4,7-9H2
(5)Std. InChIKey: JJAHTWIKCUJRDK-UHFFFAOYSA-N

Storage Temperature: 2-8°C
Usage:A sulfhydryl and amino reactive heterobifunctional protein crosslinking reagent. It conjugates anti-digoxin F(ab?2 fragments to ?galactosidase. Conjugates hIgG to alkaline phosphatase. Spacer Arm: 11.6 Angstrom
Safety Data
Hazard Symbols Xi: Irritant
 

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