Basic information
- CAS
51897-39-3- Standard SMILES
CCN(CC(O)CO)c1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c(NC(C)=O)c1- InChIKey
WGGMGCJXXYYGKF-UHFFFAOYSA-N- Molecular formula
- C21H21N7O5
- Average molar mass
- 451.4 g/mol
- Monoisotopic mass
- 451.1604168
Names & identifiers
- Preferred name
- Acetamide, N-[2-[2-(2,6-dicyano-4-nitrophenyl)diazenyl]-5-[(2,3-dihydroxypropyl)ethylamino]phenyl]-
- IUPAC
- N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-[2,3-dihydroxypropyl(ethyl)amino]phenyl]acetamide
- English name
- N-[2-[(2,6-Dicyano-4-nitrophenyl)azo]-5-[(2,3-dihydroxypropyl)ethylamino]phenyl]acetamide
- Molecular formula
- C21H21N7O5
- Molecular weight
- 451.44
Names & synonyms
Acetamide, N-(2-((2,6-dicyano-4-nitrophenyl)azo)-5-((2,3-dihydroxypropyl)ethylamino)phenyl)-DTXSID40885974Acetamide, N-(2-(2-(2,6-dicyano-4-nitrophenyl)diazenyl)-5-((2,3-dihydroxypropyl)ethylamino)phenyl)-Acetamide, N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-[(2,3-dihydroxypropyl)ethylamino]phenyl]-Acetamide, N-[2-[2-(2,6-dicyano-4-nitrophenyl)diazenyl]-5-[(2,3-dihydroxypropyl)ethylamino]phenyl]-RefChem:551819DTXCID60102532651897-39-3SCHEMBL9344071SCHEMBL9344075WGGMGCJXXYYGKF-UHFFFAOYSA-NDB-320710
Show more names
N-[2-[(2,6-Dicyano-4-nitrophenyl)azo]-5-[(2,3-dihydroxypropyl)ethylamino]phenyl]acetamide
N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-[(2,3-dihydroxypropyl)ethylamino]phenyl ]acetamideN-{2-[(2,6-Dicyano-4-nitrophenyl)diazenyl]-5-[(2,3-dihydroxypropyl)(ethyl)amino]phenyl}acetamide
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 787
Physicochemical properties
- Boiling point
- 781.8 · 781.8±60.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 13.85 · 13.85±0.20(Predicted)
- EPA Substance Registry System
- 2 · Acetamide, N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-[(2,3-dihydroxypropyl)ethylamino]phenyl]- (51897-39-3)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[2-[2-(2,6-dicyano-4-nitrophenyl)diazenyl]-5-[(2,3-dihydroxypropyl)ethylamino]phenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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