2-Amino-4-(2-chlorophenyl)-1-(2-chloro-5-(trifluoromethyl)phenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Basic information
- CAS
444933-97-5- Standard SMILES
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)C2c1ccccc1Cl- InChIKey
VBCVJANPSQKMRL-UHFFFAOYSA-N- Molecular formula
- C25H20Cl2F3N3O
- Average molar mass
- 506.3 g/mol
- Monoisotopic mass
- 505.0935521
Names & identifiers
- Preferred name
- 2-Amino-4-(2-chlorophenyl)-1-(2-chloro-5-(trifluoromethyl)phenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- English name
- 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C25H20Cl2F3N3O
- Molecular weight
- 506.35
Names & synonyms
2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile444933-97-52-Amino-4-(2-chlorophenyl)-1-(2-chloro-5-(trifluoromethyl)phenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileRefChem:464074648-147-52-Amino-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileAK-968/156060502-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileSTK960101AKOS0037937592-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile3-Quinolinecarbonitrile, 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 964
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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