2-Amino-4-(1,3-benzodioxol-5-YL)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Basic information
- CAS
311774-17-1- Standard SMILES
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)C2c1ccc2c(c1)OCO2- InChIKey
NKZGMTAXVUNDLP-UHFFFAOYSA-N- Molecular formula
- C26H22F3N3O3
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.16132606
Names & identifiers
- Preferred name
- 2-Amino-4-(1,3-benzodioxol-5-YL)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
- English name
- SALOR-INT L222011-1EA
- Molecular formula
- C26H22F3N3O3
- Molecular weight
- 481.47
Names & synonyms
311774-17-12-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-7,7-DIMETHYL-5-OXO-1-(2-(TRIFLUOROMETHYL)PHENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILERefChem:464043648-126-02-Amino-4-(benzo[d][1,3]dioxol-5-yl)-7,7-dimethyl-5-oxo-1-(2-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileAKOS001717623AKOS022014003AG-205/10986062SR-01000516124SR-01000516124-1SALOR-INT L222011-1EA
Database identifiers
- CAS
311774-17-1- PubChem CID
- 4135077
- EC Number
- 648-126-0
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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