2-Amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Basic information
- CAS
296771-47-6- Standard SMILES
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)C2c1cccnc1- InChIKey
KAZYFTWMQZVBLD-UHFFFAOYSA-N- Molecular formula
- C23H22N4O
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.17936134
Names & identifiers
- Preferred name
- 2-Amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
- English name
- SALOR-INT L221090-1EA
- Molecular formula
- C23H22N4O
- Molecular weight
- 370.45
Names & synonyms
296771-47-62-AMINO-7,7-DIMETHYL-5-OXO-1-PHENYL-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILERefChem:464840648-232-72-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-pyridin-3-yl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileOprea1_238002MLS000085674CHEMBL1510870HMS2311C17STK754311AKOS001710880
Show more names
SALOR-INT L221090-1EA
SMR000020803AG-205/10440057SR-01000514229SR-01000514229-1
Database identifiers
- CAS
296771-47-6- PubChem CID
- 3236334
- ChEMBL
CHEMBL1510870- EC Number
- 648-232-7
- Nikkaji
- J3.541.679J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 763
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-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
- H315-H319-H335
- 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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