2-Amino-1-(4-chlorophenyl)-4-[2-(ethylsulfanyl)-3-thienyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Basic information
- CAS
476483-38-2- Standard SMILES
CCSc1sccc1C1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2- InChIKey
WQETWAQDWAJDNY-UHFFFAOYSA-N- Molecular formula
- C24H24ClN3OS2
- Average molar mass
- 470.1 g/mol
- Monoisotopic mass
- 469.1049324
Names & identifiers
- Preferred name
- 2-Amino-1-(4-chlorophenyl)-4-[2-(ethylsulfanyl)-3-thienyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-1-(4-chlorophenyl)-4-(2-ethylsulfanylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- English name
- SALOR-INT L220116-1EA
- Molecular formula
- C24H24ClN3OS2
- Molecular weight
- 470.05
Names & synonyms
476483-38-22-amino-1-(4-chlorophenyl)-4-[2-(ethylsulfanyl)-3-thienyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-AMINO-1-(4-CHLOROPHENYL)-4-(2-(ETHYLSULFANYL)-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILERefChem:463141648-324-72-Amino-1-(4-chlorophenyl)-4-(2-(ethylthio)thiophen-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileAKOS001646909AKOS021997028SALOR-INT L220116-1EA
Database identifiers
- CAS
476483-38-2- PubChem CID
- 4348586
- EC Number
- 648-324-7
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 850
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- 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-H335-H315
- 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…