Basic information
- CAS
67906-32-5- Standard SMILES
Cc1ccc(Nc2cc(C(=O)O)c(Nc3ccccc3)cc2C(=O)O)cc1- InChIKey
SVKUUKYLRANQTP-UHFFFAOYSA-N- Molecular formula
- C21H18N2O4
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.12665706
Names & identifiers
- Preferred name
- 1,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-
- IUPAC
- 2-anilino-5-(4-methylanilino)terephthalic acid
- English name
- 5-anilino-2-[(p-tolyl)amino]terephthalic acid
- Molecular formula
- C21H18N2O4
- Molecular weight
- 362.38
Names & synonyms
Terephthalic acid, 2-anilino-5-p-toluidino-EINECS 267-701-31,4-Benzenedicarboxylic acid, 2-[(4-methylphenyl)amino]-5-(phenylamino)-DTXSID208870321,4-Benzenedicarboxylic acid, 2-((4-methylphenyl)amino)-5-(phenylamino)-RefChem:416036DTXCID60102634867906-32-5SCHEMBL11647944SVKUUKYLRANQTP-UHFFFAOYSA-NNS000562815-Anilino-2-((p-tolyl)amino)terephthalic acid
Show more names
5-anilino-2-[(p-tolyl)amino]terephthalic acid2-[(4-Methylphenyl)amino]-5-(phenylamino)terephthalic acid
2-Anilino-5-(4-methylanilino)benzene-1,4-dicarboxylic acid
Database identifiers
- CAS
67906-32-5- PubChem CID
- 106077
- DTXSID
DTXSID20887032- EC Number
- 267-701-3
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Benzenedicarboxylic acid, 2-[(4-methylphenyl)amino]-5-(phenylamino)- (67906-32-5)
- 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-Benzenedicarboxylic acid, 2-[(4-methylphenyl)amino]-5-(phenylamino)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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