Basic information
- CAS
93966-61-1- Standard SMILES
CCN(CCOC(=O)CCCCCCCC(=O)OCCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1- InChIKey
YLWIETZZQDBSBW-UHFFFAOYSA-N- Molecular formula
- C43H46N10O8
- Average molar mass
- 830.9 g/mol
- Monoisotopic mass
- 830.35000846
Names & identifiers
- Preferred name
- Bis(2-((4-((2-cyano-4-nitrophenyl)azo)phenyl)ethylamino)ethyl) azelate
- IUPAC
- bis[2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl] nonanedioate
- English name
- bis[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl] azelate
- Molecular formula
- C43H46N10O8
- Molecular weight
- 830.89
Names & synonyms
93966-61-1EINECS 301-013-7Bis(2-((4-((2-cyano-4-nitrophenyl)azo)phenyl)ethylamino)ethyl) azelateYLWIETZZQDBSBW-UHFFFAOYSA-NDTXSID001125934NS000644411,9-Bis[2-[[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl] nonanedioateBis{2-[{4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]ethyl} nonanedioatebis[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl] azelateNonanedioic acid bis[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl] esterNonanedioic acid, 1,9-bis[2-[[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl] ester
Database identifiers
- CAS
93966-61-1- PubChem CID
- 44145232
- DTXSID
DTXSID001125934- EC Number
- 301-013-7
- Nikkaji
- J367.844J
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 24
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,420
Physicochemical properties
- Boiling point
- 943.615 · 943.615±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.261 · 1.261±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.504 · 2.504±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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