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Pentanedioic acid,1,5-bis(2,5-dioxo-1-pyrrolidinyl) ester (79642-50-5)

Identification
Name:Pentanedioic acid,1,5-bis(2,5-dioxo-1-pyrrolidinyl) ester
Synonyms:Di(N-succinimidyl) glutarate;Disuccinimidyl glutarate;DSG;
CAS:79642-50-5
Molecular Formula: C13H14N2O8
Molecular Weight: 326.26
Molecular Structure: (C13H14N2O8) Di(N-succinimidyl) glutarate;Disuccinimidyl glutarate;DSG;
Properties
Density:1.53 g/cm3
Specification:

This chemical is called Di(N-succinimidyl) glutarate, and it can also be named as DSG. With the CAS registry number of 79642-50-5, its systematic name is 1,1'-[(1,5-dioxopentane-1,5-diyl)bis(oxy)]dipyrrolidine-2,5-dione. In addition, the molecular formula of this chemical is C13H14N2O8, and its formula weight is 326.26. However, this chemical should be stored at the temperature of −20°C.

Other characteristics of the Di(N-succinimidyl) glutarate can be summarised as followings: (1)ACD/LogP: -3.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.3; (4)ACD/LogD (pH 7.4): -3.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 127.36 Å2; (13)Index of Refraction: 1.572; (14) Molar Refractivity: 70.09 cm3; (15)Molar Volume: 212.9 cm3; (16)Polarizability: 27.78×10-24cm3; (17)Surface Tension: 70 dyne/cm; (18)Density: 1.53 g/cm3; (19)Flash Point: 247.2 °C; (20)Enthalpy of Vaporization: 75.06 kJ/mol; (21)Boiling Point: 485.1 °C at 760 mmHg; (22)Vapour Pressure: 1.45E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: The Di(N-succinimidyl) glutarate is irritating to eyes, respiratory system and skin, please wear suitable protective clothing when you use it. In case of contacting 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=C2N(OC(=O)CCCC(=O)ON1C(=O)CCC1=O)C(=O)CC2
(2)InChI: InChI=1/C13H14N2O8/c16-8-4-5-9(17)14(8)22-12(20)2-1-3-13(21)23-15-10(18)6-7-11(15)19/h1-7H2
(3)InChIKey: LNQHREYHFRFJAU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H14N2O8/c16-8-4-5-9(17)14(8)22-12(20)2-1-3-13(21)23-15-10(18)6-7-11(15)19/h1-7H2
(5)Std. InChIKey: LNQHREYHFRFJAU-UHFFFAOYSA-N

Storage Temperature: −20°C
Safety Data
Hazard Symbols Xi: Irritant