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1-Butyl-2,3-bis(dicyclohexylamino)cyclopropenimine

1-Butyl-2,3-bis(dicyclohexylamino)cyclopropenimine

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Molecular Formula:

C31H53N3

Molecular Weight:

467.77

CAS Number:

1802064-84-1

Catalog Number:

1802064-84-1

Product Information

Molecular Formula:

C31H53N3

Molecular Weight:

467.77

Description

Cyclopropenimines are a highly effective new class of Brønsted base catalysts, the so-called "superbases" for organocatalysis. Due to the prevalence of chemical reactions involving proton transfer as a key mechanistic event, Brønsted bases have become indispensable tools for the practice of organic synthetic chemistry. This is one of a suite of Brønsted catalysts reported by Tristan Lambert and co-workers available through Sigma-Aldrich.

Synonyms

3-(Butylimino)-N1,N1,N2,N2-tetracyclohexylcycloprop-1-ene-1,2-diamine,n-Bu-C1-Cy HCl,CPI-Cy HCl

IUPAC Name

3-butylimino-1-N,1-N,2-N,2-N-tetracyclohexylcyclopropene-1,2-diamine

Canonical SMILES

CCCCN=C1C(=C1N(C2CCCCC2)C3CCCCC3)N(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C31H53N3/c1-2-3-24-32-29-30(33(25-16-8-4-9-17-25)26-18-10-5-11-19-26)31(29)34(27-20-12-6-13-21-27)28-22-14-7-15-23-28/h25-28H,2-24H2,1H3

InChI Key

WNYVDRKZSLSJLX-UHFFFAOYSA-N

Flash Point

Not applicable

Storage

2-8°C

Computed Properties

XLogP3

9.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

467.42394870 g/mol

Monoisotopic Mass

467.42394870 g/mol

Topological Polar Surface Area

18.8Å²

Heavy Atom Count

Formal Charge

Complexity

598

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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1-Butyl-2,3-bis(dicyclohexylamino)cyclopropenimine

Product Information

Computed Properties

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