Basic information
- CAS
68155-95-3- Standard SMILES
CCN(CC)c1ccc(N=C2C=CC(=O)C(Cl)=C2)c(C)c1- InChIKey
NYHORWIVCVFYFV-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2O
- Average molar mass
- 302.8 g/mol
- Monoisotopic mass
- 302.11859091
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 2-chloro-4-((4-(diethylamino)-2-methylphenyl)imino)-
- IUPAC
- 2-chloro-4-[4-(diethylamino)-2-methylphenyl]iminocyclohexa-2,5-dien-1-one
- English name
- 2-chloro-4-[[4-(diethylamino)-2-methylphenyl]imino]cyclohexa-2,5-dien-1-one
- Molecular formula
- C17H19ClN2O
- Molecular weight
- 302.8
Names & synonyms
2,5-Cyclohexadien-1-one, 2-chloro-4-[[4-(diethylamino)-2-methylphenyl]imino]-EINECS 268-995-6DTXSID00712012,5-Cyclohexadien-1-one, 2-chloro-4-((4-(diethylamino)-2-methylphenyl)imino)-4-((4-(Diethylamino)-2-methylphenyl)imino)-2-chloro-2,5-cyclohexadien-1-oneRefChem:444157DTXCID404563668155-95-32-chloro-4-[[4-(diethylamino)-2-methylphenyl]imino]cyclohexa-2,5-dien-1-one2-CHLORO-4-{[4-(DIETHYLAMINO)-2-METHYLPHENYL]IMINO}CYCLOHEXA-2,5-DIEN-1-ONE2-Chloro-4-((4-(diethylamino)-2-methylphenyl)imino)cyclohexa-2,5-dien-1-one4PZN4J7EQD
Show more names
2-Chloro-4-[(4-diethylamino-2-methylphenyl)imino]-2,5-cyclohexadien-1-one
SCHEMBL5512969SCHEMBL5512970NYHORWIVCVFYFV-CPNJWEJPSA-N2-chloro-4-[4-(diethylamino)-2-methylphenyl]iminocyclohexa-2,5-dien-1-oneNS000364582-Chloro-4-[[2-methyl-4-(diethylamino)phenyl]imino]-2,5-cyclohexadien-1-one2-Chloro-4-[[4-(diethylamino)-2-methylphenyl]imino]-2,5-cyclohexadien-1-one
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadien-1-one, 2-chloro-4-[[4-(diethylamino)-2-methylphenyl]imino]- (68155-95-3)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadien-1-one, 2-chloro-4-[[4-(diethylamino)-2-methylphenyl]imino]-: INACTIVE
Related reactions
1 records
Compound notes
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