Basic information
- CAS
4898-57-1- Standard SMILES
CCOC(=O)C1=C(Nc2ccc(C)cc2)CC(C(=O)OCC)=C(Nc2ccc(C)cc2)C1- InChIKey
JQVSBFSFDYFKHJ-UHFFFAOYSA-N- Molecular formula
- C26H30N2O4
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.22055744
Names & identifiers
- Preferred name
- 1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis[(4-methylphenyl)amino]-, 1,4-diethyl ester
- IUPAC
- diethyl 2,5-bis(4-methylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate
- English name
- 2,5-Di(p-toluidino)-3,6-dihydroterephthalic acid diethyl ester
- Molecular formula
- C26H30N2O4
- Molecular weight
- 434.53
Names & synonyms
Diethyl 2,5-di-p-toluidino-3,6-dihydroterephthalate1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis((4-methylphenyl)amino)-, 1,4-diethyl ester1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis((4-methylphenyl)amino)-, diethyl ester1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis[(4-methylphenyl)amino]-, diethyl ester1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis[(4-methylphenyl)amino]-, 1,4-diethyl esterRefChem:4165624898-57-1DTXSID7063639JQVSBFSFDYFKHJ-UHFFFAOYSA-Ndiethyl 2,5-bis(4-methylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate2,5-Di(p-toluidino)-3,6-dihydroterephthalic acid diethyl ester
Database identifiers
- CAS
4898-57-1- PubChem CID
- 78609
- DTXSID
DTXSID7063639- Nikkaji
- J29.635J
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 664
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis[(4-methylphenyl)amino]-, diethyl ester (4898-57-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis[(4-methylphenyl)amino]-, 1,4-diethyl ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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