N-(5-Chloro-3-((4-(diethylamino)-2-methylphenyl)imino-4-methyl-6-oxo-1,4-cyclohexadien-1-yl)benzamide
Basic information
- CAS
129604-78-0- Standard SMILES
CCN(CC)c1ccc(N=C2C=C(NC(=O)c3ccccc3)C(=O)C(Cl)=C2C)c(C)c1- InChIKey
CXQLLORSESKKFJ-UHFFFAOYSA-N- Molecular formula
- C25H26ClN3O2
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 435.1713548
Names & identifiers
- Preferred name
- N-(5-Chloro-3-((4-(diethylamino)-2-methylphenyl)imino-4-methyl-6-oxo-1,4-cyclohexadien-1-yl)benzamide
- IUPAC
- N-[5-chloro-3-[4-(diethylamino)-2-methylphenyl]imino-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]benzamide
- English name
- N-(5-chloro-3-((4-(diethylamino)-2-methylphenyl)imino-4-methyl-6-oxo-1,4-cyclohexadien-1-yl)benzamide
- Molecular formula
- C25H26ClN3O2
- Molecular weight
- 435.95
Names & synonyms
129604-78-0N-[5-Chloro-3-[[4-(diethylamino)-2-methylphenyl]imino]-4-methyl-6-oxo-1,4-cyclohexadien-1-yl]benzamideN-(5-Chloro-3-((4-(diethylamino)-2-methylphenyl)imino)-4-methyl-6-oxo-1,4-cyclohexadien-1-yl)benzamideRefChem:828144EC 413-200-1413-200-1N-(5-Chloro-3-((4-(diethylamino)-2-methylphenyl)imino-4-methyl-6-oxo-1,4-cyclohexadien-1-yl)benzamideN-(5-Chloro-3-((4-(diethylamino)-2-methylphenyl)imino)-4-methyl-6-oxocyclohexa-1,4-dien-1-yl)benzamideN-(5-chloro-3-{[4-(diethylamino)-2-methylphenyl]imino}-4-methyl-6-oxocyclohexa-1,4-dien-1-yl)benzamideSCHEMBL12106925SCHEMBL12764842CXQLLORSESKKFJ-UHFFFAOYSA-N
Show more names
Benzamide, N-[5-chloro-3-[[4-(diethylamino)-2-methylphenyl]imino]-4-methyl-6-oxo-1,4-cyclohexadien-1-yl]-
DTXSID801112640
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 776
Physicochemical properties
- Boiling point
- 617 · 617.0±55.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 8.25 · 8.25±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 24 · 24-37
- REACH Registrations
- Inactive
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
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationREACH registered substance: N-(5-chloro-3-((4-(diethylamino)-2-methylphenyl)imino-4-methyl-6-oxo-1,4-cyclohexadien-1-yl)benzamide (EC: 413-200-1)
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin sensitisation - category 1
Skin Sens. 1
Safety data
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24-37
- Hazard statements
- H317
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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Compound notes
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