Basic information
- CAS
16421-41-3- Standard SMILES
COc1cc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)Cc1ccccc1- InChIKey
JNVFJTYCXXHXEF-UHFFFAOYSA-N- Molecular formula
- C26H26N6O8
- Average molar mass
- 550.5 g/mol
- Monoisotopic mass
- 550.18121181
Names & identifiers
- Preferred name
- Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[2-(2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]-
- IUPAC
- 2-[5-acetamido-N-benzyl-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate
- English name
- 2-[[5-acetamido-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]benzylamino]ethyl acetate
- Molecular formula
- C26H26N6O8
- Molecular weight
- 550.52
Names & synonyms
EINECS 240-471-1Acetamide, N-(5-((2-(acetyloxy)ethyl)(phenylmethyl)amino)-2-((2,4-dinitrophenyl)azo)-4-methoxyphenyl)-Acetamide, N-(5-((2-(acetyloxy)ethyl)(phenylmethyl)amino)-2-(2-(2,4-dinitrophenyl)diazenyl)-4-methoxyphenyl)-Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2,4-dinitrophenyl)azo]-4-methoxyphenyl]-Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[2-(2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]-RefChem:551745Acetamide, N-5-2-(acetyloxy)ethyl(phenylmethyl)amino-2-(2,4-dinitrophenyl)azo-4-methoxyphenyl-16421-41-32-((5-Acetamido-4-((2,4-dinitrophenyl)azo)-2-methoxyphenyl)benzylamino)ethyl acetate2-[[5-acetamido-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]benzylamino]ethyl acetateJNVFJTYCXXHXEF-UHFFFAOYSA-N2-[5-acetamido-N-benzyl-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate
Show more names
N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2,4-dinitrophenyl)azo]-4-methoxyphenyl]-Acetamide
DTXSID8066050NS000201572-[{5-Acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxyphenyl}(benzyl)amino]ethyl acetate
Database identifiers
- CAS
16421-41-3- PubChem CID
- 85409
- DTXSID
DTXSID8066050- EC Number
- 240-471-1
- Nikkaji
- J286.901B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 903
Physicochemical properties
- Boiling point
- 789.5 · 789.5±60.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 13.43 · 13.43±0.70(Predicted)
- EPA Substance Registry System
- 5 · Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2,4-dinitrophenyl)azo]-4-methoxyphenyl]- (16421-41-3)
- 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.
Hazard information
Regulatory Information
Chemical: Acetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[(2,4-dinitrophenyl)azo]-4-methoxyphenyl]-
Hazard Traits - Bioaccumulation; Environmental Persistence
Acetamide, N-5-2-(acetyloxy)ethyl(phenylmethyl)amino-2-(2,4-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-[(2,4-dinitrophenyl)azo]-4-methoxyphenyl]-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[5-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-2-[2-(2,4-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
No reaction records under the current filter.
Compound notes
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