1,2-Benzenedicarbonitrile, 3,6-dipropyl-

Inquiry

Molecular Formula:

C14H16N2

Molecular Weight:

212.29

CAS Number:

128912-46-9

Catalog Number:

128912-46-9

Product Information

Molecular Formula:

C14H16N2

Molecular Weight:

212.29

Synonyms

3,6-Dipropylbenzene-1,2-dicarbonitrile; 3,6-Dipropylphthalonitrile; 1,2-Benzenedicarbonitrile,3,6-dipropyl-; 1,2-Benzenedicarbonitrile, 3,6-dipropyl-

IUPAC Name

3,6-dipropylbenzene-1,2-dicarbonitrile

Canonical SMILES

CCCC1=C(C(=C(C=C1)CCC)C#N)C#N

InChI

InChI=1S/C14H16N2/c1-3-5-11-7-8-12(6-4-2)14(10-16)13(11)9-15/h7-8H,3-6H2,1-2H3

InChI Key

PXWRQUROEYCPTM-UHFFFAOYSA-N

Purity

99%

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

212.131348519

Monoisotopic Mass

212.131348519

Topological Polar Surface Area

47.6

Heavy Atom Count

Formal Charge

Complexity

271

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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1,2-Benzenedicarbonitrile, 3,6-dipropyl-

Product Information

Computed Properties

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