4-(2-(4-(2-(5-Cyano-2-((8-methoxyoctyl)amino)-6-((3-methoxypropyl)amino)-4-methyl-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-N-(3-(2-phenoxyethoxy)propyl)benzamide
Basic information
- CAS
73398-97-7- Standard SMILES
COCCCCCCCCNc1nc(NCCCOC)c(C#N)c(C)c1N=Nc1cc(C)c(N=Nc2ccc(C(=O)NCCCOCCOc3ccccc3)cc2)cc1C- InChIKey
ADJJQYRLSGNPNR-UHFFFAOYSA-N- Molecular formula
- C46H61N9O5
- Average molar mass
- 820 g/mol
- Monoisotopic mass
- 819.47956608
Names & identifiers
- Preferred name
- 4-(2-(4-(2-(5-Cyano-2-((8-methoxyoctyl)amino)-6-((3-methoxypropyl)amino)-4-methyl-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-N-(3-(2-phenoxyethoxy)propyl)benzamide
- IUPAC
- 4-[[4-[[5-cyano-2-(8-methoxyoctylamino)-6-(3-methoxypropylamino)-4-methyl-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-[3-(2-phenoxyethoxy)propyl]benzamide
- English name
- 4-[[4-[[5-Cyano-2-[(8-methoxyoctyl)amino]-6-[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-N-[3-(2-phenoxyethoxy)propyl]benzamide
- Molecular formula
- C46H61N9O5
- Molecular weight
- 820.04
Names & synonyms
73398-97-74-(2-(4-(2-(5-Cyano-2-((8-methoxyoctyl)amino)-6-((3-methoxypropyl)amino)-4-methyl-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-N-(3-(2-phenoxyethoxy)propyl)benzamide4-[2-[4-[2-[5-Cyano-2-[(8-methoxyoctyl)amino]-6-[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-[3-(2-phenoxyethoxy)propyl]benzamideRefChem:286999Benzamide, 4-[[4-[[5-cyano-2-[(8-methoxyoctyl)amino]-6-[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-N-[3-(2-phenoxyethoxy)propyl]-Benzamide, 4-((4-((5-cyano-2-((8-methoxyoctyl)amino)-6-((3-methoxypropyl)amino)-4-methyl-3-pyridinyl)azo)-2,5-dimethylphenyl)azo)-N-(3-(2-phenoxyethoxy)propyl)-Benzamide, 4-(2-(4-(2-(5-cyano-2-((8-methoxyoctyl)amino)-6-((3-methoxypropyl)amino)-4-methyl-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-N-(3-(2-phenoxyethoxy)propyl)-DTXSID2072756ADJJQYRLSGNPNR-UHFFFAOYSA-N4-{[4-({5-Cyano-2-[(8-methoxyoctyl)amino]-6-[(3-methoxypropyl)amino]-4-methylpyridin-3-yl}diazenyl)-2,5-dimethylphenyl]diazenyl}-N-[3-(2-phenoxyethoxy)propyl]benzamide
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 28
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,250
Physicochemical properties
- Boiling point
- 971.202 · 971.202±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.155 · 1.155±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.022 · 14.022±0.46(predicted)
- EPA Substance Registry System
- 4 · Benzamide, 4-[[4-[[5-cyano-2-[(8-methoxyoctyl)amino]-6-[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-N-[3-(2-phenoxyethoxy)propyl]- (73398-97-7)
- 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 InformationBenzamide, 4-[2-[4-[2-[5-cyano-2-[(8-methoxyoctyl)amino]-6-[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-[3-(2-phenoxyethoxy)propyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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