Basic information
- CAS
65086-47-7- Standard SMILES
Cc1cc(N(CCO)CCC#N)ccc1N=Nc1ccc([N+](=O)[O-])cc1Cl- InChIKey
QDBJRXJHWACKOF-UHFFFAOYSA-N- Molecular formula
- C18H18ClN5O3
- Average molar mass
- 387.8 g/mol
- Monoisotopic mass
- 387.10981712
Names & identifiers
- Preferred name
- Propanenitrile, 3-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)-3-methylphenyl)(2-hydroxyethyl)amino)-
- IUPAC
- 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile
- English name
- 3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]propiononitrile
- Molecular formula
- C18H18ClN5O3
- Molecular weight
- 387.82
Names & synonyms
EINECS 265-382-5Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]-Propionitrile, 3-(4-((2-chloro-4-nitrophenyl)azo)-N-(2-hydroxyethyl)-m-toluidino)-DTXSID70701873-((4-((2-Chloro-4-nitrophenyl)azo)-3-methylphenyl)(2-hydroxyethyl)amino)propanenitrile4-(2-Chloro-4-nitrophenylazo)-3-methyl-N-(beta-cyanoethyl)-N-(beta-hydroxyethyl)anilinePropanenitrile, 3-((4-((2-chloro-4-nitrophenyl)azo)-3-methylphenyl)(2-hydroxyethyl)amino)-Propanenitrile, 3-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)-3-methylphenyl)(2-hydroxyethyl)amino)-Propanenitrile, 3-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl](2-hydroxyethyl)amino]-RefChem:869058DTXCID404445865086-47-7
Show more names
4-(2-Chloro-4-nitrophenylazo)-N-(2-cyanoethyl)-N-(2-hydroxyethyl)-m-toluidine3-[4-(2-Chloro-4-nitrophenylazo)-N-(2-hydroxyethyl)-3-methylanilino]propiononitrile3-[[4-[(2-Chloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]propanenitrile
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]- (65086-47-7)
- 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 InformationChemical: Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]-
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 InformationPropanenitrile, 3-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl](2-hydroxyethyl)amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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