4-(2-(Oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 1-naphthoate
Basic information
- CAS
765281-81-0- Standard SMILES
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1- InChIKey
REFIDENGCQPRTK-OGLMXYFKSA-N- Molecular formula
- C27H21N3O4
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.15320616
Names & identifiers
- Preferred name
- 4-(2-(Oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 1-naphthoate
- IUPAC
- [4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Names & synonyms
4-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 1-NAPHTHOATERefChem:512061765281-81-0656-709-6AKOS024416700
Database identifiers
- CAS
765281-81-0- PubChem CID
- 9687657
- EC Number
- 656-709-6
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 738
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
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Related reactions
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Compound notes
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