Basic information
- CAS
69912-93-2- Standard SMILES
CC(=O)OCCN1c2ccc(C=C(C#N)C#N)cc2C(C)CC1(C)C- InChIKey
AJZHCUYPQMCHFW-UHFFFAOYSA-N- Molecular formula
- C20H23N3O2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.17902698
Names & identifiers
- Preferred name
- Propanedinitrile, 2-((1-(2-(acetyloxy)ethyl)-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl)methylene)-
- IUPAC
- 2-[6-(2,2-dicyanoethenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl acetate
- English name
- 2-[[[1-[2-(Acetyloxy)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin]-6-yl]methylene]propanedinitrile
- Molecular formula
- C20H23N3O2
- Molecular weight
- 337.42
Names & synonyms
((1-(2-Acetoxyethyl)-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl)methylene)malononitrileDTXSID10887526Propanedinitrile, ((1-(2-(acetyloxy)ethyl)-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl)methylene)-Propanedinitrile, 2-((1-(2-(acetyloxy)ethyl)-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl)methylene)-Propanedinitrile, [[1-[2-(acetyloxy)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl]methylene]-Propanedinitrile, 2-[[1-[2-(acetyloxy)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl]methylene]-RefChem:868894DTXCID60102681769912-93-2AJZHCUYPQMCHFW-UHFFFAOYSA-N2-[6-(2,2-Dicyanoethen-1-yl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl acetate2-[[[1-[2-(Acetyloxy)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin]-6-yl]methylene]propanedinitrile
Database identifiers
- CAS
69912-93-2- PubChem CID
- 112181
- DTXSID
DTXSID10887526
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 616
Physicochemical properties
- EPA Substance Registry System
- 1 · Propanedinitrile, [[1-[2-(acetyloxy)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl]methylene]- (69912-93-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanedinitrile, 2-[[1-[2-(acetyloxy)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl]methylene]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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