N-[5-[Bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl]acetamide
Basic information
- CAS
21429-43-6- Standard SMILES
CCOc1cc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O- InChIKey
COHDSNUKFGNOIB-UHFFFAOYSA-N- Molecular formula
- C24H27ClN6O10
- Average molar mass
- 595 g/mol
- Monoisotopic mass
- 594.1477188
Names & identifiers
- Preferred name
- N-[5-[Bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl]acetamide
- IUPAC
- 2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-ethoxyanilino]ethyl acetate
- English name
- 2,2'-[[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-4-ethoxyphenyl]imino]diethyl diacetate
- Molecular formula
- C24H27ClN6O10
- Molecular weight
- 594.96
Names & synonyms
21429-43-6N-[5-[Bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl]acetamideN-(5-(Bis(2-(acetyloxy)ethyl)amino)-2-(2-(2-chloro-4,6-dinitrophenyl)diazenyl)-4-ethoxyphenyl)acetamideRefChem:362281C.I. Disperse Blue 79 (Cl/ethoxy)EINECS 244-383-4DTXSID4066703COHDSNUKFGNOIB-UHFFFAOYSA-NNS00021058({5-Acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl}azanediyl)di(ethane-2,1-diyl) diacetate2,2'-((5-Acetamido-4-((2-chloro-4,6-dinitrophenyl)azo)-4-ethoxyphenyl)imino)diethyl diacetateAcetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-((2-chloro-4,6-dinitrophenyl)azo)-4-ethoxyphenyl)-
Show more names
2,2'-[[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-4-ethoxyphenyl]imino]diethyl diacetateN-[5-[Bis[2-(acetyloxy)ethyl]amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-ethoxyphenyl]acetamide2-[5-acetamido-N-(2-acetyloxyethyl)-4-(2-chloro-4,6-dinitrophenyl)diazenyl-2-ethoxyanilino]ethyl acetate
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 940
Physicochemical properties
- EPA Substance Registry System
- 79 · C.I. Disperse Blue 79 (Cl/ethoxy) (21429-43-6)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-ethoxyphenyl]-
Other Safety InformationIMAP assessments - Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-ethoxyphenyl]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
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Compound notes
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