5-(4-Aminobenzamido)-2,3-cresotic acid
Basic information
- CAS
6265-15-2- Standard SMILES
Cc1cc(NC(=O)c2ccc(N)cc2)cc(C(=O)O)c1O- InChIKey
AOMFEMQHOBBHFK-UHFFFAOYSA-N- Molecular formula
- C15H14N2O4
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.09535693
Names & identifiers
- Preferred name
- 5-(4-Aminobenzamido)-2,3-cresotic acid
- IUPAC
- 5-[(4-aminobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
Names & synonyms
5-(4-Aminobenzamido)-2,3-cresotic acid5-[(4-aminobenzoyl)amino]-2-hydroxy-3-methylbenzoic acidDTXSID80748675-((4-Aminobenzoyl)amino)-2-hydroxy-3-methylbenzoic acid2,3-Cresotic acid, 5-(p-aminobenzamido)-RefChem:530149DTXCID70434596265-15-2Benzoic acid, 5-((4-aminobenzoyl)amino)-2-hydroxy-3-methyl-5-(4-Aminobenzamido)-2-hydroxy-3-methylbenzoic acid
Database identifiers
- CAS
6265-15-2- PubChem CID
- 22640
- DTXSID
DTXSID8074867
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…