N-(2-((2-Chloro-4,6-dinitrophenyl)azo)-4-(2-methoxyethoxy)-5-((2-(2-methoxyethoxy)ethyl)amino)phenyl)acetamide
Basic information
- CAS
36379-03-0- Standard SMILES
COCCOCCNc1cc(NC(C)=O)c(N=Nc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCCOC- InChIKey
JPBIQFJXZOMMDH-UHFFFAOYSA-N- Molecular formula
- C22H27ClN6O9
- Average molar mass
- 554.9 g/mol
- Monoisotopic mass
- 554.1528042
Names & identifiers
- Preferred name
- N-(2-((2-Chloro-4,6-dinitrophenyl)azo)-4-(2-methoxyethoxy)-5-((2-(2-methoxyethoxy)ethyl)amino)phenyl)acetamide
- IUPAC
- N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-(2-methoxyethoxy)-5-[2-(2-methoxyethoxy)ethylamino]phenyl]acetamide
- English name
- N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-4-(2-methoxyethoxy)-5-[[2-(2-methoxyethoxy)ethyl]amino]phenyl]acetamide
- Molecular formula
- C22H27ClN6O9
- Molecular weight
- 554.94
Names & synonyms
36379-03-0EINECS 253-005-7JPBIQFJXZOMMDH-UHFFFAOYSA-NDTXSID001106116N-(2-((2-Chloro-4,6-dinitrophenyl)azo)-4-(2-methoxyethoxy)-5-((2-(2-methoxyethoxy)ethyl)amino)phenyl)acetamideNS00057815N-[2-[2-(2-Chloro-4,6-dinitrophenyl)diazenyl]-4-(2-methoxyethoxy)-5-[[2-(2-methoxyethoxy)ethyl]amino]phenyl]acetamideN-[2-(2-Chloro-4,6-dinitrophenylazo)-4-(2-methoxyethoxy)-5-[2-(2-methoxyethoxy)ethylamino]phenyl]acetamideN-[2-[(2-chloro-4,6-dinitrophenyl)azo]-4-(2-methoxyethoxy)-5-[[2-(2-methoxyethoxy)ethyl]amino]phenyl]acetamide
Database identifiers
- CAS
36379-03-0- PubChem CID
- 118963
- DTXSID
DTXSID001106116- EC Number
- 253-005-7
- Nikkaji
- J332.281E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 783
Physicochemical properties
- Boiling point
- 770.826 · 770.826±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.428 · 1.428±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.446 · 13.446±0.70(predicted)
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Compound notes
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