2-methyleneglutaronitrile

Inquiry

Molecular Formula:

C6H6N2

Molecular Weight:

106.13

CAS Number:

1572-52-7

Catalog Number:

1572-52-7

Product Information

Molecular Formula:

C6H6N2

Molecular Weight:

106.13

Description

2-Methyleneglutaronitrile is a key component in the biomedicine industry used for various applications. It plays a vital role in the synthesis of pharmaceutical drugs targeting diseases like cancer, inflammation, and neurodegenerative disorders.

Synonyms

2,4-Dicyanobutene-1; 2-Methyleneglutarodinitrile; 2-methylene-pentanedinitril; alpha-Methyleneglutarodinitrile; alpha-Methyleneglutaronitrile; Glutaronitrile, 2-methylene-; Methylene glutaronitrile; 2-METHYLENEGLUTARONITRILE

IUPAC Name

2-methylidenepentanedinitrile

Canonical SMILES

C=C(CCC#N)C#N

InChI

InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2

InChI Key

NGCJVMZXRCLPRQ-UHFFFAOYSA-N

Boiling Point

98 ℃/4 mmHg

Flash Point

126 ℃

Purity

>98.0%(GC)

Density

0.976

Appearance

Colorless liquid

Refractive Index

1.45

Safety Information

Hazards

H301 + H311 + H331 H315 H319

Precautionary Statement

P501 P261 P270 P271 P264 P280 P337 + P313 P305 + P351 + P338 P361 + P364 P332 + P313 P301 +P310 + P330 P302 + P352 + P312 P304 + P340 + P311 P403 + P233 P405

Computed Properties

XLogP3

0.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

106.053098200 g/mol

Monoisotopic Mass

106.053098200 g/mol

Topological Polar Surface Area

47.6Å²

Heavy Atom Count

Formal Charge

Complexity

173

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-methyleneglutaronitrile

Product Information

Safety Information

Computed Properties

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