3-Acetamido-5-Amino-4-Methyl-2-Nitrobenzoic Acid
[CAS# 54002-35-6]

Identification

• Name: 3-Acetamido-5-Amino-4-Methyl-2-Nitrobenzoic Acid
• Synonyms: 3-(acetylamino)-5-amino-4-methyl-2-nitrobenzoic acid
• Molecular Formula: C₁₀H₁₁N₃O₅
• Molecular Weight: 253.21
• CAS Registry Number: 54002-35-6
• SMILES: [O-][N+](=O)c1c(cc(N)c(c1NC(=O)C)C)C(=O)O
• InChI: 1S/C10H11N3O5/c1-4-7(11)3-6(10(15)16)9(13(17)18)8(4)12-5(2)14/h3H,11H2,1-2H3,(H,12,14)(H,15,16)
• InChIKey: BTBNIDUYZBWBIO-UHFFFAOYSA-N

Properties

• Density: 1.531g/cm³ (Cal.)
• Boiling point: 590.337°C at 760 mmHg (Cal.)
• Flash point: 310.825°C (Cal.)