Basic information
- CAS
21528-24-5- Standard SMILES
CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2C(=O)O)cc1- InChIKey
JJCFABAQVHRXAW-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.1473925
Names & identifiers
- Preferred name
- Benzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]-
- IUPAC
- 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]benzoic acid
- English name
- 2-[p-(Dimethylamino)benzoyl]-5-(dimethylamino)benzoic acid
- Molecular formula
- C18H20N2O3
- Molecular weight
- 312.36
Names & synonyms
5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]benzoic acidBenzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]-Benzoic acid, 5-(dimethylamino)-2-(4-(dimethylamino)benzoyl)-DTXSID90667085-(Dimethylamino)-2-(4-(dimethylamino)benzoyl)benzoic acidRefChem:327657DTXCID303649421528-24-5SCHEMBL9253503SCHEMBL311196302-[p-(Dimethylamino)benzoyl]-5-(dimethylamino)benzoic acidDB-358644
Show more names
5-(diMethylaMino)-2-(4-(diMethylaMino)benzoyl)-Benzoic acid
2-(4-dimethylaminophenyl)carbonyl-5-dimethylaminobenzoic acid
Database identifiers
- CAS
21528-24-5- PubChem CID
- 88936
- DTXSID
DTXSID9066708- Nikkaji
- J22.387E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- EPA Substance Registry System
- 5 · Benzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]- (21528-24-5)
- 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 InformationBenzoic acid, 5-(dimethylamino)-2-[4-(dimethylamino)benzoyl]-: INACTIVE
Suppliers1 total
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
14 records
Compound notes
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