4-aminobenzophenone

Synonyms: "p-benzoylaniline", "p-aminobenzophenone", "(4-aminophenyl)(phenyl)methanone", "(4-aminophenyl)-phenylmethanone", "4-benzoylaniline"

Source: 4-aminobenzophenone is used in research as a half antigen and is coupled with a carrier BSA (Bovine Serum Albumin) by a diazotization method.

Identifiers:

IUPAC Name: (4-aminophenyl)-phenylmethanone
CAS Number: 1137-41-3
PubChem ID: 14346
InChiKey: RBKHNGHPZZZJCI-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N

Structural Properties:

Molecular Formula: C₁₃H₁₁NO
Molecular Weight: 197.233

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 15

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Schultz TW, Seward JR, Sinks GD. 2000. Estrogenicity of benzophenones evaluated with a recombinant yeast assay: comparison of experimental and rules-based predicted activity. Environ Toxicol Chem 19(2):301-304.