2-(3-Methyl-1-piperazinyl)-3-nitrobenzoic acid
[CAS# 893611-87-5]

Identification

• Name: 2-(3-Methyl-1-piperazinyl)-3-nitrobenzoic acid
• Synonyms: 2-(3-Methyl-piperazin-1-yl)-3-nitro-benzoic acid; 2-(3-METHYL-PIPERAZIN-1-YL)-3-NITRO-BENZOICACID; BENZOIC ACID,2-(3-METHYL-1-PIPERAZINYL)-3-NITRO-
• Molecular Formula: C₁₂H₁₅N₃O₄
• Molecular Weight: 265.27
• CAS Registry Number: 893611-87-5
• SMILES: CC1CN(CCN1)c2c(cccc2[N+](=O)[O-])C(=O)O
• InChI: 1S/C12H15N3O4/c1-8-7-14(6-5-13-8)11-9(12(16)17)3-2-4-10(11)15(18)19/h2-4,8,13H,5-7H2,1H3,(H,16,17)
• InChIKey: KYYUCJDXASXGPX-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 460.241°C at 760 mmHg (Cal.)
• Flash point: 232.146°C (Cal.)
• Refractive index: 1.587 (Cal.)