CAS 945-30-2 2,5-Diaminoterephthalic acid - Materials / Alfa Chemistry

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2,5-Diaminoterephthalic acid

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Catalog Number

ACM945302-2

CAS Number

945-30-2

Product Name

2,5-Diaminoterephthalic acid

Structure

Category

Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand

Synonyms

2,5-Diaminobenzene-1,4-dicarboxylic acid

IUPAC Name

2,5-diaminoterephthalic acid

Molecular Weight

196.16

Molecular Formula

C8H8N2O4

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

Purity

95%+

Appearance

Solid

Complexity

230

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

196.04840674g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

196.04840674g/mol

Rotatable Bond Count

Topological Polar Surface Area

127Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

0.7

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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