2,8,10-Trioxa-5-azaundecanoic acid, 5-(5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)-9-oxo-, methyl ester
Basic information
- CAS
23422-33-5- Standard SMILES
COC(=O)OCCN(CCOC(=O)OC)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC- InChIKey
CVESYTJURSOGNA-UHFFFAOYSA-N- Molecular formula
- C23H25BrN6O12
- Average molar mass
- 657.4 g/mol
- Monoisotopic mass
- 656.07138
Overview
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Names & identifiers
- Preferred name
- 2,8,10-Trioxa-5-azaundecanoic acid, 5-(5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)-9-oxo-, methyl ester
- IUPAC
- 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxy-N-(2-methoxycarbonyloxyethyl)anilino]ethyl methyl carbonate
- English name
- methyl 7-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-3-oxo-2,4,10-trioxa-7-azaundecan-11-oate
- Molecular formula
- C23H25BrN6O12
- Molecular weight
- 657.38
Names & synonyms
EINECS 245-653-42,4,10-Trioxa-7-azaundecan-11-oic acid, 7-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-3-oxo-, methyl ester((5-(Acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)imino)di-2,1-ethanediyl carbonic acid dimethyl ester2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-3-oxo-, methyl ester2,8,10-Trioxa-5-azaundecanoic acid, 5-(5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)-9-oxo-, methyl esterN-(5-(Bis(2-((methoxycarbonyl)oxy)ethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)-4-methoxyphenyl)acetamideN-(5-(Bis(2-(methoxycarbonyloxy)ethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)-4-methoxyphenyl)acetamide2,8,10-Trioxa-5-azaundecanoic acid, 5-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-9-oxo-, methyl esterRefChem:44646823422-33-5METHYL 7-[5-ACETAMIDO-4-[(2-BROMO-4,6-DINITROPHENYL)AZO]-2-METHOXYPHENYL]-3-OXO-2,4,10-TRIOXA-7-AZAUNDECAN-11-OATE
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 229 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 15
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 957
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-3-oxo-, methyl ester (23422-33-5)
- 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 Information2,8,10-Trioxa-5-azaundecanoic acid, 5-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-9-oxo-, methyl ester: INACTIVE
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