Benzenedimethanamine-diethylamine

Inquiry

Molecular Formula:

C₁₆H₃₂N₆

Molecular Weight:

308.47

CAS Number:

71277-17-3

Catalog Number:

71277-17-3

Product Information

Molecular Formula:

C₁₆H₃₂N₆

Molecular Weight:

308.47

Description

Benzenedimethanamine-diethylamine is a PROTAC linker, which is composed of alkyl chains. Benzenedimethanamine-diethylamine can be used to synthesize a range of PROTACs.

Synonyms

Benzenedimethanamine-diethylamine; N1,N1'-(1,4-phenylenebis(methylene))bis(N1-(2-aminoethyl)ethane-1,2-diamine); bis(2-aminoethyl)[(4-{[bis(2-aminoethyl)amino]methyl}phenyl)methyl]amine

IUPAC Name

N'-(2-aminoethyl)-N'-[[4-[[bis(2-aminoethyl)amino]methyl]phenyl]methyl]ethane-1,2-diamine;hydrochloride

Canonical SMILES

C1=CC(=CC=C1CN(CCN)CCN)CN(CCN)CCN.Cl

InChI

InChI=1S/C16H32N6.ClH/c17-5-9-21(10-6-18)13-15-1-2-16(4-3-15)14-22(11-7-19)12-8-20;/h1-4H,5-14,17-20H2;1H

InChI Key

GHICFGSOOAIDJO-UHFFFAOYSA-N

Purity

97%

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3

-2.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

308.26884505

Monoisotopic Mass

308.26884505

Topological Polar Surface Area

111

Heavy Atom Count

Formal Charge

Complexity

217

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

Patents

Publication Number	Title	Priority Date
EP-2139461-A2	Amino derivatives to prevent nephrotoxicity and cancer	2007-03-20
WO-2008113364-A2	Amino derivatives to prevent nephrotoxicity and cancer	2007-03-20
WO-2008021788-A2	Polyamine compounds	2006-08-08
AU-2004227983-A1	Polyamine compounds for treating chemokine receptor mediated diseases	2003-04-02
CA-2521416-A1	Polyamine compounds for treating chemokine receptor mediated diseases	2003-04-02
EP-1608352-A1	Polyamine compounds for treating chemokine receptor mediated diseases	2003-04-02
EP-1608352-A4	POLYAMINE COMPOUNDS FOR THE TREATMENT OF CHEMOKINE-RECEPTOR INDUCED DISEASES	2003-04-02
EP-1608352-B1	Polyamine compounds for treating chemokine receptor mediated diseases	2003-04-02
JP-2006522145-A	Polyamine compounds for treating chemokine receptor mediated diseases	2003-04-02
JP-3949708-B2	Polyamine compounds for treating chemokine receptor mediated diseases	2003-04-02

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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Benzenedimethanamine-diethylamine

Product Information

Computed Properties

Patents

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