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Acetamide, N-[2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]-

HCID 117337
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Basic information

CAS
26931-40-8
Standard SMILES
COc1cc(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1NCC(O)COc1ccccc1
InChIKey
QBLLNOJDLUTSGF-UHFFFAOYSA-N
Molecular formula
C24H23BrN6O8
Average molar mass
603.4 g/mol
Monoisotopic mass
602.07607

Names & identifiers

Preferred name
Acetamide, N-[2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]-
IUPAC
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]acetamide
English name
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]acetamide
Molecular formula
C24H23BrN6O8
Molecular weight
603.38

Names & synonyms

EINECS 248-115-7DTXSID60885375Acetamide, N-(2-((2-bromo-4,6-dinitrophenyl)azo)-5-((2-hydroxy-3-phenoxypropyl)amino)-4-methoxyphenyl)-2-Bromo-4,6-dinitro-2'-acetylamino-4'-(N-beta-hydroxy-gamma-phenoxypropylamino)-5'-methoxyazobenzeneAcetamide, N-(2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-5-((2-hydroxy-3-phenoxypropyl)amino)-4-methoxyphenyl)-Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]-Acetamide, N-[2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]-RefChem:551657DTXCID40102475826931-40-8QBLLNOJDLUTSGF-UHFFFAOYSA-NNS00051341
Show more names
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]acetamide
N-(2-((2-Bromo-4,6-dinitrophenyl)azo)-5-((2-hydroxy-3-phenoxypropyl)amino)-4-methoxyphenyl)acetamideN-{2-[(2-Bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl}acetamide

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
196 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
11
Rotatable bonds
10
Heavy atoms
39
Formal charge
0
Complexity
851

Physicochemical properties

EPA Substance Registry System
2 · Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]- (26931-40-8)
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-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]-
Other Safety InformationIMAP assessments - Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]-: Human health tier I assessment

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetamide, N-[2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]-: INACTIVE

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
26931-40-8
PubChem CID
117337
DTXSID
DTXSID60885375
EC Number
248-115-7
Nikkaji
J249.084F