2-Amino-4-[4-(diethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

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Basic information

CAS: 312265-63-7
Standard SMILES: CCN(CC)c1ccc(C2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIKey: OERSRMWTXPNHJL-UHFFFAOYSA-N
Molecular formula: C28H32N4O
Average molar mass: 440.6 g/mol
Monoisotopic mass: 440.25761166

Names & identifiers

Preferred name: 2-Amino-4-[4-(diethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
IUPAC: 2-amino-4-[4-(diethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
English name: SALOR-INT L221929-1EA
Molecular formula: C28H32N4O
Molecular weight: 440.58

Names & synonyms

312265-63-72-amino-4-[4-(diethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-AMINO-4-(4-(DIETHYLAMINO)PHENYL)-7,7-DIMETHYL-5-OXO-1-PHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILERefChem:464101648-152-22-Amino-4-(4-(diethylamino)phenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile2-amino-4-[4-(diethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileOprea1_703290STK757072AKOS001708647AKOS022013417AG-205/10455004

Show more names

SALOR-INT L221929-1EA

SR-01000518207SR-01000518207-1

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 73.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 33
Formal charge: 0
Complexity: 858

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-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 · 4 items

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-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Related reactions

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Compound notes

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