benzene-1,2,4,5-tetracarboxamide

• ChemBase ID: 147872
• Molecular Formular: C10H10N4O4
• Molecular Mass: 250.2108
• Monoisotopic Mass: 250.07020482
• SMILES: c1c(c(cc(c1C(=O)N)C(=O)N)C(=O)N)C(=O)N
• Canonical SMILES: NC(=O)c1cc(C(=O)N)c(cc1C(=O)N)C(=O)N
• InChI: InChI=1S/C10H10N4O4/c11-7(15)3-1-4(8(12)16)6(10(14)18)2-5(3)9(13)17/h1-2H,(H2,11,15)(H2,12,16)(H2,13,17)(H2,14,18)
• InChIKey: FGLFAMLQSRIUFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzene-1,2,4,5-tetracarboxamide
• IUPAC Traditional name: benzene-1,2,4,5-tetracarboxamide
• Synonyms: Pyromellitamide; 1,2,4,5-Benzenetetracarboxamide; 1,2,4,5-苯四酰胺

Database IDs

• CAS Number: 6183-35-3
• MDL Number: MFCD00450905
• PubChem SID: 24870656; 162242054
• PubChem CID: 261811

CALCULATED PROPERTIES

• Acid pKa: 12.070002
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.624193
• LogD (pH = 7.4): -2.6241846
• Log P: -2.624193
• Molar Refractivity: 62.3716 cm^3
• Polarizability: 21.909567 Å^3
• Polar Surface Area: 172.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Linear Formula: C6H2(CONH2)4

DETAILS

Sigma Aldrich - 472115

Packaging
5, 25 g in glass bottle