Zinc00236161
Basic information
- CAS
124079-85-2- Standard SMILES
CCN(CC)c1ccc(C=C(C#N)C#N)c(OC(C)=O)c1- InChIKey
JJBFDYQYAKTQJC-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.13207679
Names & identifiers
- Preferred name
- Zinc00236161
- IUPAC
- [2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate
Names & synonyms
5255-97-0ZINC00236161RefChem:388645DTXCID10297823DTXSID80346751Acetic acid, 2-(2,2-dicyanoethenyl)-5-diethylaminophenyl ester[2-(2,2-dicyanoethenyl)-5-(diethylamino)phenyl] acetate2-(2,2-Dicyanovinyl)-5-(diethylamino)phenyl acetateOprea1_099909Oprea1_5626272-cyano-3-(4-diethylamino-2-acetoxyphenyl)acrylonitrileJJBFDYQYAKTQJC-UHFFFAOYSA-N
Show more names
DTXSID901370427HMS1579B19124079-85-2SR-01000201288SR-01000201288-12-(2,2-Dicyanovinyl)-5-(diethylamino)phenyl acetate #2-[[2-(acetyloxy)-4-(diethylamino)phenyl]methylene]-Propanedinitrile
Database identifiers
- CAS
124079-85-2- PubChem CID
- 614607
- DTXSID
DTXSID901370427
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 472
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 InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanedinitrile, 2-[[2-(acetyloxy)-4-(diethylamino)phenyl]methylene]-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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