2,5-Diethynylbenzene-1,4-diamine

Inquiry

Molecular Formula:

C10H8N2

Molecular Weight:

156.18

CAS Number:

1141727-54-9

Catalog Number:

1141727-54-9

Product Information

Molecular Formula:

C10H8N2

Molecular Weight:

156.18

Synonyms

25-diethynylbenzene-14-diamine

IUPAC Name

2,5-diethynylbenzene-1,4-diamine

Canonical SMILES

C#CC1=CC(=C(C=C1N)C#C)N

InChI

InChI=1S/C10H8N2/c1-3-7-5-10(12)8(4-2)6-9(7)11/h1-2,5-6H,11-12H2

InChI Key

VBLDDPRXGITDQU-UHFFFAOYSA-N

Purity

98%

Solubility

Soluble

Safety Information

Hazards

H302-H315-H319-H335

Precautionary Statement

P261-P280-P301+P312-P302+P352-P305+P351+P338

GHS Pictogram

GHS07

Signal Word

Warning

Computed Properties

XLogP3

1.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

156.068748264

Monoisotopic Mass

156.068748264

Topological Polar Surface Area

Heavy Atom Count

Formal Charge

Complexity

224

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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2,5-Diethynylbenzene-1,4-diamine

Product Information

Safety Information

Computed Properties

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