4,4'-Methylene-Bis(3-Chloro-2,6-Diethylaniline)

Inquiry

Molecular Formula:

C21H28N2Cl2

Molecular Weight:

379.37

CAS Number:

106246-33-7

Catalog Number:

106246-33-7

Product Information

Molecular Formula:

C21H28N2Cl2

Molecular Weight:

379.37

Description

4,4'-Methylene-Bis(3-Chloro-2,6-Diethylaniline) exhibits cytotoxic effects and acts as an antineoplastic agent by inhibiting cellular proliferation. Its precise mechanism of action involves interference with DNA repair mechanisms, ultimately resulting in tumor cell death.

Synonyms

bis-(4-Amino-2-chloro-3,5-diethylphenyl)methane; M-CDEA; 4,4'-Methylene-bis-(3-chloro-2,6-diethylaniline)

IUPAC Name

4-[(4-amino-2-chloro-3,5-diethylphenyl)methyl]-3-chloro-2,6-diethylaniline

Canonical SMILES

CCC1=CC(=C(C(=C1N)CC)Cl)CC2=C(C(=C(C(=C2)CC)N)CC)Cl

InChI

InChI=1S/C21H28Cl2N2/c1-5-12-9-14(18(22)16(7-3)20(12)24)11-15-10-13(6-2)21(25)17(8-4)19(15)23/h9-10H,5-8,11,24-25H2,1-4H3

InChI Key

VIOMIGLBMQVNLY-UHFFFAOYSA-N

Boiling Point

506.4°C at 760 mmHg

Melting Point

87°C

Purity

95%

Density

1.154 g/cm3

Appearance

off white crystaline powder

Safety Information

Hazards

H413:
May cause long-lasting harmful effects to aquatic life.

Precautionary Statement

P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

6.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

378.1629543 g/mol

Monoisotopic Mass

378.1629543 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

369

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

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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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