Basic information
- CAS
15958-43-7- Standard SMILES
CCCCNC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1- InChIKey
IYJLCWHPPXDSPO-UHFFFAOYSA-N- Molecular formula
- C23H25N7O4
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.1968023
Names & identifiers
- Preferred name
- Carbamic acid, N-butyl-, 2-((2-cyanoethyl)(4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)amino)ethyl ester
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl N-butylcarbamate
- English name
- 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl butylcarbamate
- Molecular formula
- C23H25N7O4
- Molecular weight
- 463.49
Names & synonyms
EINECS 240-091-6Carbamic acid, butyl-, 2-((2-cyanoethyl)(4-((2-cyano-4-nitrophenyl)azo)phenyl)amino)ethyl esterCarbamic acid, N-butyl-, 2-((2-cyanoethyl)(4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)amino)ethyl esterN-(2-Cyanoethyl)-N-(2-((((butylamino)carbonyl)oxy)ethyl)-4-((2-cyano-4-nitrophenyl)azo)benzenamine2-((2-Cyanoethyl)(4-((2-cyano-4-nitrophenyl)azo)phenyl)amino)ethylbutylcarbamateCarbamic acid, butyl-, 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl esterCarbamic acid, N-butyl-, 2-[(2-cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl esterRefChem:57403915958-43-72-[(2-Cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl butylcarbamate2-((2-Cyanoethyl)(4-((2-cyano-4-nitrophenyl)azo)phenyl)amino)ethyl butylcarbamateIYJLCWHPPXDSPO-UHFFFAOYSA-N
Show more names
Butylcarbamic acid 2-[p-(2-cyano-4-nitrophenylazo)-N-(2-cyanoethyl)anilino]ethyl esterCarbamic acid, butyl-, 2-[(2-cyanoethyl)[4-[(2-cyano- 4-nitrophenyl)azo]phenyl]amino]ethyl ester
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 773
Physicochemical properties
- Boiling point
- 724.2 · 724.2±60.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 12.77 · 12.77±0.46(Predicted)
- EPA Substance Registry System
- 2 · 2-[(2-Cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl butylcarbamate (15958-43-7)
- 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: Carbamic acid, butyl-, 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl ester
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 InformationCarbamic acid, N-butyl-, 2-[(2-cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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