2,5-Diaminoterephthalic acid

• CAS: 945-30-2
• Catalog Number: ACM945302-2
• Category: Main Products
• Molecular Weight: 196.16
• Molecular Formula: C8H8N2O4
• Synonyms: 2,5-Diaminobenzene-1,4-dicarboxylic acid
• IUPAC Name: 2,5-diaminoterephthalic acid
• Canonical SMILES: C1=C(C(=CC(=C1N)C(=O)O)N)C(=O)O
• InChI: InChI=1S/C8H8N2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,9-10H2,(H,11,12)(H,13,14)
• InChI Key: WIOZZYWDYUOMAY-UHFFFAOYSA-N
• Melting Point: >300 °C
• Appearance: Solid
• Complexity: 230
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 196.04840674g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 4
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 4
• Isotope Atom Count: 0
• Monoisotopic Mass: 196.04840674g/mol
• Physical State: Green solid
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 127Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: 0.7

Custom Q&A

What is the molecular formula of 2,5-diaminoterephthalic acid?

The molecular formula of 2,5-diaminoterephthalic acid is C8H8N2O4.

What is the molecular weight of 2,5-diaminoterephthalic acid?

The molecular weight of 2,5-diaminoterephthalic acid is 196.16 g/mol.

When was 2,5-diaminoterephthalic acid created?

2,5-diaminoterephthalic acid was created on July 8, 2005.

When was 2,5-diaminoterephthalic acid last modified?

The last modification date of 2,5-diaminoterephthalic acid is December 2, 2023.

What is the IUPAC name of 2,5-diaminoterephthalic acid?

The IUPAC name of 2,5-diaminoterephthalic acid is "2,5-diaminoterephthalic acid".

What is the InChI of 2,5-diaminoterephthalic acid?

The InChI of 2,5-diaminoterephthalic acid is "InChI=1S/C8H8N2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,9-10H2,(H,11,12)(H,13,14)".

What is the InChIKey of 2,5-diaminoterephthalic acid?

The InChIKey of 2,5-diaminoterephthalic acid is "WIOZZYWDYUOMAY-UHFFFAOYSA-N".

What is the canonical SMILES of 2,5-diaminoterephthalic acid?

The canonical SMILES of 2,5-diaminoterephthalic acid is "C1=C(C(=CC(=C1N)C(=O)O)N)C(=O)O".

What is the CAS number of 2,5-diaminoterephthalic acid?

The CAS number of 2,5-diaminoterephthalic acid is 945-30-2.

What is the European Community (EC) number of 2,5-diaminoterephthalic acid?

The European Community (EC) number of 2,5-diaminoterephthalic acid is 687-048-1.