Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl]-
Basic information
- CAS
14071-35-3- Standard SMILES
CC(=O)Nc1cc(N(CCO)CCO)ccc1N=Nc1c(Br)cc([N+](=O)[O-])cc1C#N- InChIKey
TZGRVPGNUHVFOB-UHFFFAOYSA-N- Molecular formula
- C19H19BrN6O5
- Average molar mass
- 491.3 g/mol
- Monoisotopic mass
- 490.06003
Names & identifiers
- Preferred name
- Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl]-
- IUPAC
- N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl]acetamide
- English name
- N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]acetamide
- Molecular formula
- C19H19BrN6O5
- Molecular weight
- 491.3
Names & synonyms
EINECS 237-925-6Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]-Acetamide, N-(5-(bis(2-hydroxyethyl)amino)-2-((2-bromo-6-cyano-4-nitrophenyl)azo)phenyl)-Acetamide, N-(5-(bis(2-hydroxyethyl)amino)-2-(2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl)phenyl)-Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl]-RefChem:55176014071-35-3N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl]acetamideN-(5-(Bis(2-hydroxyethyl)amino)-2-((2-bromo-6-cyano-4-nitrophenyl)azo)phenyl)acetamideN-(5-(bis(2-hydroxyethyl)amino)-2-((2-bromo-6-cyano-4-nitrophenyl)diazenyl)phenyl)acetamideN-{5-[Bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl}acetamideSCHEMBL622280
Show more names
2,2'-[[2-(Acetylamino)-6'-bromo-2'-cyano-4'-nitroazobenzene-4-yl]imino]bisethanolN-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]acetamide
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 689
Physicochemical properties
- Melting point
- 194 °C · 194 °C
- Boiling point
- 795.906 · 795.906±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.576 · 1.576±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.118 · 14.118±0.70(predicted)
- EPA Substance Registry System
- 5 · Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]- (14071-35-3)
- 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 InformationChemical: Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl]-: ACTIVE
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Compound notes
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