Basic information
- CAS
16421-40-2- Standard SMILES
COc1cc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)Cc1ccccc1- InChIKey
DFAKODSMQXHLIH-UHFFFAOYSA-N- Molecular formula
- C26H25ClN6O8
- Average molar mass
- 585 g/mol
- Monoisotopic mass
- 584.1422395
Names & identifiers
- Preferred name
- Acetamide, N-(5-((2-(acetyloxy)ethyl)(phenylmethyl)amino)-2-(2-(2-chloro-4,6-dinitrophenyl)diazenyl)-4-methoxyphenyl)-
- IUPAC
- 2-[5-acetamido-N-benzyl-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate
- English name
- 2-[[5-acetamide-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl]benzylamino]ethyl acetate
- Molecular formula
- C26H25ClN6O8
- Molecular weight
- 584.97
Names & synonyms
EINECS 240-470-6Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-2-((5-Acetamide-4-((2-chloro-4,6-dinitrophenyl)azo)-2-methoxyphenyl)benzylamino)ethyl acetateAcetamide, N-(5-((2-(acetyloxy)ethyl)(phenylmethyl)amino)-2-((2-chloro-4,6-dinitrophenyl)azo)-4-methoxyphenyl)-Acetamide, N-(5-((2-(acetyloxy)ethyl)(phenylmethyl)amino)-2-(2-(2-chloro-4,6-dinitrophenyl)diazenyl)-4-methoxyphenyl)-N-[5-[[2-(Acetyloxy)ethyl](phenylmethyl)amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide2-[[5-acetamide-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl]benzylamino]ethyl acetateAcetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]-N-(5-((2-(Acetyloxy)ethyl)(phenylmethyl)amino)-2-(2-(2-chloro-4,6-dinitrophenyl)diazenyl)-4-methoxyphenyl)acetamideRefChem:551746240-470-6Acetamide, N-5-2-(acetyloxy)ethyl(phenylmethyl)amino-2-(2-chloro-4,6-dinitrophenyl)azo-4-methoxyphenyl-
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 940
Physicochemical properties
- Boiling point
- 804.221 · 804.221±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.411 · 1.411±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.373 · 13.373±0.70(predicted)
- EPA Substance Registry System
- 5 · Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]- (16421-40-2)
- TSCA
- TSCA listed
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 ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-
Hazard Traits - Bioaccumulation; Environmental Persistence
Acetamide, N-5-2-(acetyloxy)ethyl(phenylmethyl)amino-2-(2-chloro-4,6-dinitrophenyl)azo-4-methoxyphenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]-: ACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
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Compound notes
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