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3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic Acid

3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic Acid

Inquiry

Molecular Formula:

C14H12N2O4

Molecular Weight:

272.26

CAS Number:

1799740-97-8

Catalog Number:

1799740-97-8

Product Information

Molecular Formula:

C14H12N2O4

Molecular Weight:

272.26

Description

Applications: 3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic Acid molecules could be used as linker molecules for metal-organic frameworks.

Synonyms

3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid; 3,3'-Diaminobiphenyl-4,4'-dicarboxylic acid; 2-amino-4-(3-amino-4-carboxyphenyl)benzoic acid; [1,?1'-?Biphenyl]?-?4,?4'-?dicarboxylic acid, 3,?3'-?diamino-; 3,3 inverted exclamation mark -Diaminobiphenyl-4,4 inverted exclamation mark -dicarboxylic Acid;

IUPAC Name

2-amino-4-(3-amino-4-carboxyphenyl)benzoic acid

Canonical SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)O)N)N)C(=O)O

InChI

InChI=1S/C14H12N2O4/c15-11-5-7(1-3-9(11)13(17)18)8-2-4-10(14(19)20)12(16)6-8/h1-6H,15-16H2,(H,17,18)(H,19,20)

InChI Key

YYHRJJWMKQMOFN-UHFFFAOYSA-N

Boiling Point

586.9±50.0 °C(Predicted)

Density

1.476±0.06 g/cm3(Predicted)

Computed Properties

XLogP3

2.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

272.07970687 g/mol

Monoisotopic Mass

272.07970687 g/mol

Topological Polar Surface Area

127Å²

Heavy Atom Count

Formal Charge

Complexity

351

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Volume _(start)

Concentration _(final)

Volume _(final)

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3,​3'-​Diamino-[1,​1'-​biphenyl]​-​4,​4'-​dicarboxylic Acid

Product Information

Computed Properties

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3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic Acid