2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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CAS No:
311774-43-3
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Formula:
C24H21BrFN3O
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Chemical Name:
2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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Synonyms:
2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile;3-Quinolinecarbonitrile, 2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-
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CAS No:
2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile Basic Attributes
466.35
465.08520
Characteristics
1.48±0.1 g/cm3
253-255 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
632.4±55.0 °C(Predicted)
3.70±0.60
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:466.3
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:465.08520
Monoisotopic Mass:465.08520
Topological Polar Surface Area:70.1
Heavy Atom Count:30
Complexity:823
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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