2,5-Cyclohexadiene-1,4-dione, 2-[(1,3-dimethylbutyl)amino]-5-(phenyl-2,3,4,5,6-d5-amino)-

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2,5-Cyclohexadiene-1,4-dione, 2-[(1,3-dimethylbutyl)amino]-5-(phenyl-2,3,4,5,6-d5-amino)- Basic information
Product Name:2,5-Cyclohexadiene-1,4-dione, 2-[(1,3-dimethylbutyl)amino]-5-(phenyl-2,3,4,5,6-d5-amino)-
Synonyms:Reaxys ID: 39330173;2,5-Cyclohexadiene-1,4-dione, 2-[(1,3-dimethylbutyl)amino]-5-(phenyl-2,3,4,5,6-d5-amino)-
CAS:2750119-14-1
MF:C18H17D5N2O2
MW:303.41
EINECS:
Product Categories:
Mol File:2750119-14-1.mol
2,5-Cyclohexadiene-1,4-dione, 2-[(1,3-dimethylbutyl)amino]-5-(phenyl-2,3,4,5,6-d5-amino)- Structure
2,5-Cyclohexadiene-1,4-dione, 2-[(1,3-dimethylbutyl)amino]-5-(phenyl-2,3,4,5,6-d5-amino)- Chemical Properties
Boiling point 442.226±45.00 °C(Press: 760.00 Torr)(predicted)
density 1.127±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
solubility Chloroform: Slightly soluble
Methanol: Slightly soluble (warmed)
form Solid
color Brown to reddish brown
Safety Information
MSDS Information
2,5-Cyclohexadiene-1,4-dione, 2-[(1,3-dimethylbutyl)amino]-5-(phenyl-2,3,4,5,6-d5-amino)- Usage And Synthesis
Uses6PPD-quinone-d5 is the deuterium labeled 6PPD-quinone[1].
References[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-223. DOI:10.1080/02688697.2018.1500521
[2] BRINKMANN M, MONTGOMERY D, SELINGER S, et al. Acute Toxicity of the Tire Rubber-Derived Chemical 6PPD-quinone to Four Fishes of Commercial, Cultural, and Ecological Importance[C]//36 1. 2022: 0. DOI: 10.1021/acs.estlett.2c00050
[3] XIN HUA . Long-term exposure to 6-PPD quinone reduces reproductive capacity by enhancing germline apoptosis associated with activation of both DNA damage and cell corpse engulfment in Caenorhabditis elegans[J]. Journal of Hazardous Materials, 2023, 454: Article 131495. DOI: 10.1016/j.jhazmat.2023.131495
[4] BIBAI DU, LIXI ZENG*   First Report on the Occurrence of N-(1,3-Dimethylbutyl)-N′-phenyl-p-phenylenediamine (6PPD) and 6PPD-Quinone as Pervasive Pollutants in Human Urine from South China[J]. Environmental Science & Technology Letters Environ., 2022, 9 12: 1056-1062. DOI: 10.1021/acs.estlett.2c00821
2,5-Cyclohexadiene-1,4-dione, 2-[(1,3-dimethylbutyl)amino]-5-(phenyl-2,3,4,5,6-d5-amino)- Preparation Products And Raw materials
Tag:2,5-Cyclohexadiene-1,4-dione, 2-[(1,3-dimethylbutyl)amino]-5-(phenyl-2,3,4,5,6-d5-amino)-(2750119-14-1) Related Product Information
2,5-Cyclohexadiene-1,4-dione, 2-[(1,3-dimethylbutyl)amino]-5-(phenyl-2,3,4,5,6-d5-amino)- 6PPD-quinone L-Tryptophan (13C11, 99%) α-Ketoglutaric Acid-13C5 Citric acid-13C6 L-Glutamic acid-13C5,15N