1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, 1,4-diethyl ester
Basic information
- CAS
4898-56-0- Standard SMILES
CCOC(=O)C1=C(Nc2ccccc2)CC(C(=O)OCC)=C(Nc2ccccc2)C1- InChIKey
ZJXBEXRSXKGGHS-UHFFFAOYSA-N- Molecular formula
- C24H26N2O4
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.18925731
Names & identifiers
- Preferred name
- 1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, 1,4-diethyl ester
- IUPAC
- diethyl 2,5-dianilinocyclohexa-1,4-diene-1,4-dicarboxylate
Names & synonyms
Diethyl 2,5-dianilino-3,6-dihydroterephthalate1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, 1,4-diethyl esterRefChem:4165644898-56-01,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, diethyl esterdiethyl 2,5-dianilinocyclohexa-1,4-diene-1,4-dicarboxylateSCHEMBL3911808DTXSID2063638diethyl 2,5-bis(phenylamino)cyclohexa-1,4-diene-1,4-dicarboxylate
Database identifiers
- CAS
4898-56-0- PubChem CID
- 78608
- DTXSID
DTXSID2063638- Nikkaji
- J24.328K
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 613
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, 1,4-diethyl ester: INACTIVE
Related reactions
1 records
Compound notes
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