5-Nitro-2-(phenethylamino)benzoic acid

Base Information

• Chemical Name: 5-Nitro-2-(phenethylamino)benzoic acid
• CAS No.: 107254-87-5
• Molecular Formula: C15H14 N2 O4
• DSSTox Substance ID: DTXSID801259725
• Nikkaji Number: J402.889I
• ChEMBL ID: CHEMBL1525670
• Mol file: 107254-87-5.mol

Synonyms:Maybridge1_006053;Compound 143;5-nitro-2-(phenethylamino)benzoic acid;5-nitro-2-[(2-phenylethyl)amino]benzoic acid;Oprea1_778717;MLS000850674;SCHEMBL3029764;CHEMBL1525670;HMS558L03;IJRKLHTZAIFUTB-UHFFFAOYSA-N;DTXSID801259725;HMS2799E03;CCG-50542;AKOS008963387;SMR000456691;5-Nitro-2-(2-phenylethylamino)benzoic acid;5-nitro-2-(2-phenylethylamino)-benzoic acid;SR-01000639910-1;107254-87-5

Chemical Property of 5-Nitro-2-(phenethylamino)benzoic acid

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 286.09535693
• Heavy Atom Count: 21
• Complexity: 363

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O