Basic information
- CAS
21615-32-7- Standard SMILES
CCCC(=O)OCCN(CCOC(=O)CCC)c1cc(NC(C)=O)c(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC- InChIKey
VJADXSDIUFPTKO-UHFFFAOYSA-N- Molecular formula
- C28H35BrN6O10
- Average molar mass
- 695.5 g/mol
- Monoisotopic mass
- 694.1598
Names & identifiers
- Preferred name
- [[5-(Acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl]imino]diethylene dibutyrate
- IUPAC
- 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-(2-butanoyloxyethyl)-2-ethoxyanilino]ethyl butanoate
- English name
- [[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl]imino]diethylene dibutyrate
- Molecular formula
- C28H35BrN6O10
- Molecular weight
- 695.52
Names & synonyms
21615-32-7EINECS 244-475-4[[5-(Acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl]imino]diethylene dibutyrate((5-(Acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-ethoxyphenyl)imino)diethylene dibutyrateVJADXSDIUFPTKO-UHFFFAOYSA-NDTXSID201040695({5-Acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl}imino)di-2,1-ethanediyl dibutanoateDibutyric acid [[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl]imino]di(2,1-ethanediyl) esterButanoic acid, [[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxyphenyl]imino]di-2,1-ethanediyl ester
Database identifiers
- CAS
21615-32-7- PubChem CID
- 88968
- DTXSID
DTXSID201040695- EC Number
- 244-475-4
- Nikkaji
- J226.238J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 18
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,000
Physicochemical properties
- Boiling point
- 822.3 · 822.3±65.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 13.53 · 13.53±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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