2-Amino-4-(4-(dimethylamino)phenyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Basic information
- CAS
350612-66-7- Standard SMILES
CN(C)c1ccc(C2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1- InChIKey
XLGGEELNWHEASI-UHFFFAOYSA-N- Molecular formula
- C26H27N5O3
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.21138974
Names & identifiers
- Preferred name
- 2-Amino-4-(4-(dimethylamino)phenyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- English name
- SALOR-INT L221791-1EA
- Molecular formula
- C26H27N5O3
- Molecular weight
- 457.52
Names & synonyms
350612-66-72-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-Amino-4-(4-(dimethylamino)phenyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileRefChem:464104648-148-02-Amino-4-(4-(dimethylamino)phenyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileChemDiv1_011321Oprea1_736218HMS619C13STK757438
Show more names
SALOR-INT L221791-1EA3-Quinolinecarbonitrile, 2-amino-4-[4-(dimethylamino)phenyl]-1,4,5,6,7,8-hexahydro-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-
AKOS001701476AKOS022013811AG-205/10440059SR-01000518816SR-01000518816-12-amino-4-[4-(dimethylamino)phenyl]-1-{4-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 951
Physicochemical properties
- Boiling point
- 703.9 · 703.9±60.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 4.86 · 4.86±0.24(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- 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
- H335-H315-H319
- 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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