Basic information
- CAS
12223-99-3- Standard SMILES
Cc1cc2c(cc1C=C(C#N)C#N)C(C)CC(C)(C)N2CCOC(=O)Nc1ccccc1- InChIKey
MBGQLEMLPRDFQM-UHFFFAOYSA-N- Molecular formula
- C26H28N4O2
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.22122615
Names & identifiers
- Preferred name
- Propanedinitrile, 2-[[1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-1-[2-[[(phenylamino)carbonyl]oxy]ethyl]-6-quinolinyl]methylene]-
- IUPAC
- 2-[6-(2,2-dicyanoethenyl)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]ethyl N-phenylcarbamate
- English name
- 2-[6-(2,2-dicyanovinyl)-1,2,3,4-tetrahydro-2,2,4,7-tetramethylquinolin-1-yl]ethyl carbanilate
- Molecular formula
- C26H28N4O2
- Molecular weight
- 428.53
Names & synonyms
EINECS 242-067-0DTXSID00885016Propanedinitrile, ((1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-1-(2-(((phenylamino)carbonyl)oxy)ethyl)-6-quinolinyl)methylene)-Propanedinitrile, 2-((1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-1-(2-(((phenylamino)carbonyl)oxy)ethyl)-6-quinolinyl)methylene)-Propanedinitrile, [[1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-1-[2-[[(phenylamino)carbonyl]oxy]ethyl]-6-quinolinyl]methylene]-Propanedinitrile, 2-[[1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-1-[2-[[(phenylamino)carbonyl]oxy]ethyl]-6-quinolinyl]methylene]-RefChem:86889112223-99-3DTXCID101024428602-362-018178-47-72-[6-(2,2-dicyanovinyl)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1(2h)-yl]ethyl phenylcarbamate
Show more names
2-[[[1,2,3,4-Tetrahydro-2,2,4,7-tetramethyl-1-[2-[(anilinocarbonyl)oxy]ethyl]quinolin]-6-yl]methylene]propanedinitrile
2-[6-(2,2-dicyanovinyl)-1,2,3,4-tetrahydro-2,2,4,7-tetramethylquinolin-1-yl]ethyl carbanilate2-[6-(2,2-dicyanoethenyl)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]ethyl N-phenylcarbamateMBGQLEMLPRDFQM-UHFFFAOYSA-N2-(6-(2,2-Dicyanovinyl)-1,2,3,4-tetrahydro-2,2,4,7-tetramethylquinolin-1-yl)ethyl carbanilateSCHEMBL9910043NS000545102-[6-(2,2-Dicyanoethen-1-yl)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl phenylcarbamate
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 777
Physicochemical properties
- Melting point
- 169 · 169-171 °C
- Boiling point
- 578.9 · 578.9±50.0 °C(Predicted)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- pka
- 13.5 · 13.50±0.70(Predicted)
- EPA Substance Registry System
- 1 · Propanedinitrile, [[1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-1-[2-[[(phenylamino)carbonyl]oxy]ethyl]-6-quinolinyl]methylene]- (18178-47-7)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanedinitrile, 2-[[1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-1-[2-[[(phenylamino)carbonyl]oxy]ethyl]-6-quinolinyl]methylene]-: INACTIVE
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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