3-Pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]-
Basic information
- CAS
61799-13-1- Standard SMILES
Cc1c(C#N)c(NCCO)nc(NCCCOCCOc2ccccc2)c1N=Nc1ccc([N+](=O)[O-])cc1C#N- InChIKey
DVEIMOJTBVDUFY-UHFFFAOYSA-N- Molecular formula
- C27H28N8O5
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.21826602
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]-
- IUPAC
- 5-[(2-cyano-4-nitrophenyl)diazenyl]-2-(2-hydroxyethylamino)-4-methyl-6-[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile
- English name
- 3-Pyridinecarbonitrile, 5-(2-cyano-4-nitrophenyl)azo-2-(2-hydroxyethyl)amino-4-methyl-6-3-(2-phenoxyethoxy)propylamino-
- Molecular formula
- C27H28N8O5
- Molecular weight
- 544.56
Names & synonyms
3-Pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]-DTXSID40695033-Pyridinecarbonitrile, 5-((2-cyano-4-nitrophenyl)azo)-2-((2-hydroxyethyl)amino)-4-methyl-6-((3-(2-phenoxyethoxy)propyl)amino)-RefChem:505138DTXCID10431263-Pyridinecarbonitrile, 5-(2-cyano-4-nitrophenyl)azo-2-(2-hydroxyethyl)amino-4-methyl-6-3-(2-phenoxyethoxy)propylamino-61799-13-1SCHEMBL16997056DVEIMOJTBVDUFY-UHFFFAOYSA-N3-Pyridinecarbonitrile, 5-(2-(2-cyano-4-nitrophenyl)diazenyl)-2-((2-hydroxyethyl)amino)-4-methyl-6-((3-(2-phenoxyethoxy)propyl)amino)-3-Pyridinecarbonitrile, 5-((2-cyano-4-nitrophenyl)qazo)-2-((2-hydroxyethyl)amino)-4-methyl-6-((3-(2-phenoxyethoxy)propyl)amino)-5-[(2-Cyano-4-nitrophenyl)diazenyl]-2-[(2-hydroxyethyl)amino]-4-methyl-6-{[3-(2-phenoxyethoxy)propyl]amino}pyridine-3-carbonitrile
Show more names
3-pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 892
Physicochemical properties
- Boiling point
- 838.6 · 838.6±65.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 14.39 · 14.39±0.10(Predicted)
- EPA Substance Registry System
- 3 · 3-Pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]- (61799-13-1)
- 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.
Hazard information
Regulatory Information
Chemical: 3-Pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]-
Hazard Traits - Bioaccumulation; Environmental Persistence
3-Pyridinecarbonitrile, 5-(2-cyano-4-nitrophenyl)azo-2-(2-hydroxyethyl)amino-4-methyl-6-3-(2-phenoxyethoxy)propylamino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridinecarbonitrile, 5-[2-(2-cyano-4-nitrophenyl)diazenyl]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]-: ACTIVE
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Compound notes
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