3-Pyridinecarbonitrile, 5-[[2-chloro-4-(methylsulfonyl)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-
Basic information
- CAS
63281-10-7- Standard SMILES
Cc1c(C#N)c(NCCCOCCOc2ccccc2)nc(NCCCOCCOc2ccccc2)c1N=Nc1ccc(S(C)(=O)=O)cc1Cl- InChIKey
KHCSUKFEUGAVRT-UHFFFAOYSA-N- Molecular formula
- C36H41ClN6O6S
- Average molar mass
- 721.3 g/mol
- Monoisotopic mass
- 720.2496819
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 5-[[2-chloro-4-(methylsulfonyl)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-
- IUPAC
- 5-[(2-chloro-4-methylsulfonylphenyl)diazenyl]-4-methyl-2,6-bis[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile
- English name
- 5-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile
- Molecular formula
- C36H41ClN6O6S
- Molecular weight
- 721.27
Names & synonyms
3-Pyridinecarbonitrile, 5-[[2-chloro-4-(methylsulfonyl)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-DTXSID30698093-Pyridinecarbonitrile, 5-((2-chloro-4-(methylsulfonyl)phenyl)azo)-4-methyl-2,6-bis((3-(2-phenoxyethoxy)propyl)amino)-RefChem:505156DTXCID804381063281-10-7EINECS 264-068-5KHCSUKFEUGAVRT-UHFFFAOYSA-N3-Pyridinecarbonitrile, 5-(2-(2-chloro-4-(methylsulfonyl)phenyl)diazenyl)-4-methyl-2,6-bis((3-(2-phenoxyethoxy)propyl)amino)-NS000354095-((2-Chloro-4-(methylsulphonyl)phenyl)azo)-4-methyl-2,6-bis((3-(2-phenoxyethoxy)propyl)amino)nicotinonitrile5-{[2-Chloro-4-(methanesulfonyl)phenyl]diazenyl}-4-methyl-2,6-bis{[3-(2-phenoxyethoxy)propyl]amino}pyridine-3-carbonitrile
Show more names
5-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile5-[[2-Chloro-4-(methylsulfonyl)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-3-pyridinecarbonitrile
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 21
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Pyridinecarbonitrile, 5-[[2-chloro-4-(methylsulfonyl)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]- (63281-10-7)
- 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.
Hazard information
Regulatory Information
Chemical: 3-Pyridinecarbonitrile, 5-[[2-chloro-4-(methylsulfonyl)phenyl]azo]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-
Hazard Traits - Bioaccumulation; Environmental Persistence
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridinecarbonitrile, 5-[2-[2-chloro-4-(methylsulfonyl)phenyl]diazenyl]-4-methyl-2,6-bis[[3-(2-phenoxyethoxy)propyl]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…