2-Amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Completing data — refresh the page later to see the latest
Basic information
- CAS
311328-69-5- Standard SMILES
COc1ccc(C2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC- InChIKey
SXTRHTXADLIIBK-UHFFFAOYSA-N- Molecular formula
- C27H26F3N3O3
- Average molar mass
- 497.5 g/mol
- Monoisotopic mass
- 497.19262619
Names & identifiers
- Preferred name
- 2-Amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
- English name
- 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C27H26F3N3O3
- Molecular weight
- 497.51
Names & synonyms
311328-69-52-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-AMINO-4-(3,4-DIMETHOXYPHENYL)-7,7-DIMETHYL-5-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILERefChem:464087648-192-02-Amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileSTK755185AKOS001713088AKOS0220132322-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrileAG-205/36868043
Show more names
3-Quinolinecarbonitrile, 2-amino-4-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-
SR-01000515374SR-01000515374-1
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 993
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H413
- 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, P273, 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
- H335-H315-H319-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…