5-((2,3-Dihydro-1,3-dioxo-2-(p-tolyl)-1H-isoindol-4-yl)azo)-4-methyl-2,6-bis((3-(2-phenoxyethoxy)propyl)amino)nicotinonitrile
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Basic information
- CAS
63281-04-9- Standard SMILES
Cc1ccc(N2C(=O)c3cccc(N=Nc4c(NCCCOCCOc5ccccc5)nc(NCCCOCCOc5ccccc5)c(C#N)c4C)c3C2=O)cc1- InChIKey
JLOYQEBEVYFOLX-UHFFFAOYSA-N- Molecular formula
- C44H45N7O6
- Average molar mass
- 767.9 g/mol
- Monoisotopic mass
- 767.34313218
Names & identifiers
- Preferred name
- 5-((2,3-Dihydro-1,3-dioxo-2-(p-tolyl)-1H-isoindol-4-yl)azo)-4-methyl-2,6-bis((3-(2-phenoxyethoxy)propyl)amino)nicotinonitrile
- IUPAC
- 4-methyl-5-[[2-(4-methylphenyl)-1,3-dioxoisoindol-4-yl]diazenyl]-2,6-bis[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile
- English name
- 5-[[2,3-dihydro-1,3-dioxo-2-(p-tolyl)-1H-isoindol-4-yl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile
- Molecular formula
- C44H45N7O6
- Molecular weight
- 767.87
Names & synonyms
63281-04-9EINECS 264-065-95-((2,3-Dihydro-1,3-dioxo-2-(p-tolyl)-1H-isoindol-4-yl)azo)-4-methyl-2,6-bis((3-(2-phenoxyethoxy)propyl)amino)nicotinonitrileJLOYQEBEVYFOLX-UHFFFAOYSA-NDTXSID201100526DB-295917NS000564445-[[2,3-Dihydro-1,3-dioxo-2-(p-tolyl)-1h-isoindol-4-yl ]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl ]amino]nicotinonitrile5-[2-[2,3-Dihydro-2-(4-methylphenyl)-1,3-dioxo-1H-isoindol-4-yl]diazenyl]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-3-pyridinecarbonitrile5-[[2,3-dihydro-1,3-dioxo-2-(p-tolyl)-1H-isoindol-4-yl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile5-[[[2,3-Dihydro-2-(4-methylphenyl)-1,3-dioxo-1H-isoindol]-4-yl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-3-pyridinecarbonitrile3-Pyridinecarbonitrile, 5-[2-[2,3-dihydro-2-(4-methylphenyl)-1,3-dioxo-1H-isoindol-4-yl]diazenyl]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-
Database identifiers
- CAS
63281-04-9- PubChem CID
- 3017397
- DTXSID
DTXSID201100526- EC Number
- 264-065-9
- Nikkaji
- J327.054H
Properties
Computed structural propertiesFilling in
- XLogP
- 8.6
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 21
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,290
Physicochemical properties
- Boiling point
- 949.4 · 949.4±75.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 2.51 · 2.51±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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