2-Amino-1-(2-chlorophenyl)-4-(2,5-dimethyl-3-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Basic information
- CAS
441783-43-3- Standard SMILES
Cc1cc(C2C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CCC3)c(C)s1- InChIKey
DVVLVZLSZHNJNR-UHFFFAOYSA-N- Molecular formula
- C22H20ClN3OS
- Average molar mass
- 409.9 g/mol
- Monoisotopic mass
- 409.1015611
Names & identifiers
- Preferred name
- 2-Amino-1-(2-chlorophenyl)-4-(2,5-dimethyl-3-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-1-(2-chlorophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- SALOR-INT L222771-1EA
- Molecular formula
- C22H20ClN3OS
- Molecular weight
- 409.93
Names & synonyms
441783-43-32-AMINO-1-(2-CHLOROPHENYL)-4-(2,5-DIMETHYL-3-THIENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILERefChem:462999647-812-72-Amino-1-(2-chlorophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileAKOS001646815AKOS021997218SR-01000485329SR-01000485329-1SALOR-INT L222771-1EA
Database identifiers
- CAS
441783-43-3- PubChem CID
- 5122010
- EC Number
- 647-812-7
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 782
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
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