Basic information
- CAS
25857-05-0- Standard SMILES
CCN(CCOC(=O)CCCCOC(=O)CCN(CC)c1ccc(C=C(C#N)C#N)c(C)c1)c1ccc(C=C(C#N)C#N)c(C)c1- InChIKey
SNQGOOIWXLIOLV-UHFFFAOYSA-N- Molecular formula
- C36H40N6O4
- Average molar mass
- 620.7 g/mol
- Monoisotopic mass
- 620.31110378
Overview
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Names & identifiers
- Preferred name
- Bis(2-((4-(2,2-dicyanovinyl)-3-methylphenyl)ethylamino)ethyl) adipate
- IUPAC
- 2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl 5-[3-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]propanoyloxy]pentanoate
Names & synonyms
Bis(2-((4-(2,2-dicyanovinyl)-3-methylphenyl)ethylamino)ethyl) adipateHexanedioic acid, 1,6-bis(2-((4-(2,2-dicyanoethenyl)-3-methylphenyl)ethylamino)ethyl) esterHexanedioic acid, 1,6-bis[2-[[4-(2,2-dicyanoethenyl)-3-methylphenyl]ethylamino]ethyl] esterBis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl] adipateRefChem:568643247-301-5DISPERSE YELLOW 9925857-05-0DTXSID00891157SNQGOOIWXLIOLV-UHFFFAOYSA-NEINECS 247-301-52-{[4-(2,2-Dicyanoethen-1-yl)-3-methylphenyl](ethyl)amino}ethyl 5-({N-[4-(2,2-dicyanoethen-1-yl)-3-methylphenyl]-N-ethyl-beta-alanyl}oxy)pentanoate
Database identifiers
- CAS
25857-05-0- PubChem CID
- 33189
- DTXSID
DTXSID00891157- EC Number
- 247-301-5
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,230
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% (10 of 10) of all reports.
Not Classified
Aggregated GHS information provided per 10 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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanedioic acid, 1,6-bis[2-[[4-(2,2-dicyanoethenyl)-3-methylphenyl]ethylamino]ethyl] ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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