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2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile structure

CAS No:
445016-55-7
Formula:
C26H21F6N3O
Chemical Name:
2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Synonyms:
2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile;2-Amino-7,7-dimethyl-5-oxo-1,4-bis(2-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile;2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile;AK-968/40729245;STL171790;AKOS005368066;MCULE-2205855754;445016-55-7

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2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile Basic Attributes

Molecular Weight：

505.46

Exact Mass：

505.158881

Characteristics

PSA：

70.1

Safety Information

GHS Classification：

|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:505.5
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:2
Exact Mass:505.15888127
Monoisotopic Mass:505.15888127
Topological Polar Surface Area:70.1
Heavy Atom Count:36
Complexity:1010
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

SDS

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