Basic information
- CAS
15958-27-7- Standard SMILES
N#CCCN(CCOC(=O)Nc1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
TYSBKZZQBVAKMC-UHFFFAOYSA-N- Molecular formula
- C24H22N6O4
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.1702532
Overview
See other relationships...
Names & identifiers
- Preferred name
- 2-((2-Cyanoethyl)(p-((p-nitrophenyl)azo)phenyl)amino)ethyl carbanilate
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl N-phenylcarbamate
- English name
- 2-[(2-cyanoethyl)[p-[(p-nitrophenyl)azo]phenyl]amino]ethyl carbanilate
- Molecular formula
- C24H22N6O4
- Molecular weight
- 458.47
Names & synonyms
EINECS 240-090-0DTXSID10659762-((2-Cyanoethyl)(p-((p-nitrophenyl)azo)phenyl)amino)ethyl carbanilate4-((4-Nitrophenyl)azo)-N-(2-cyanoethyl)-N(2-(((phenylamino)carbonyl)oxy)ethyl)benzenaminePropanenitrile, 3-((4-(2-(4-nitrophenyl)diazenyl)phenyl)(2-(((phenylamino)carbonyl)oxy)ethyl)amino)-2-[(2-CYANOETHYL)[P-[(P-NITROPHENYL)AZO]PHENYL]AMINO]ETHYL CARBANILATEPropanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl][2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-RefChem:447741DTXCID3035135240-090-015958-27-7Propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl][2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-
Show more names
propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl][2-[[(phenylamino)carbonyl]oxyPropanenitrile, 3-4-(4-nitrophenyl)azophenyl2-(phenylamino)carbonyloxyethylamino-4-[(4-Nitrophenyl)azo]-N-(2-cyanoethyl)-N[2-[[(phenylamino) carbonyl] oxy]ethyl] benzenamine3-[[4-[(4-nitrophenyl)azo] phenyl][2-[[(phenylamino)carbonyl] oxy]ethyl] amino]-Propanenitrile
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 711
Physicochemical properties
- Boiling point
- 666.9 · 666.9±55.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 13.53 · 13.53±0.70(Predicted)
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl][2-[[(phenylamino)carbonyl]oxy]ethyl]amino]- (15958-27-7)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (9 of 9) of all reports.
Not Classified
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationHazard Traits - Bioaccumulation; Environmental Persistence
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl][2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-: ACTIVE
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
Loading…