2-Benzoyl-4-methyl-5-aminobenzoic acid

Base Information

• Chemical Name: 2-Benzoyl-4-methyl-5-aminobenzoic acid
• CAS No.: 7277-88-5
• Molecular Formula: C15H13NO3
• Molecular Weight: 255.26862
• DSSTox Substance ID: DTXSID60698523
• Wikidata: Q82628779
• Mol file: 7277-88-5.mol

Synonyms:7277-88-5;2-BENZOYL-4-METHYL-5-AMINOBENZOIC ACID;5-Amino-2-benzoyl-4-methylbenzoic acid;DTXSID60698523;p-Toluic acid, 5-amino-2-benzoyl-;Benzoic acid, 5-amino-2-benzoyl-4-methyl-

Chemical Property of 2-Benzoyl-4-methyl-5-aminobenzoic acid

Chemical Property:

• Boiling Point: 527.8±50.0 °C(Predicted)
• PKA: 3.87±0.10(Predicted)
• PSA: 80.39000
• Density: 1.285±0.06 g/cm3(Predicted)
• LogP: 3.08760
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 255.08954328
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N)C(=O)O)C(=O)C2=CC=CC=C2