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

506.4ºC at 760 mmHg

Melting Point

87ºC

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

Publication Number	Title	Priority Date
CN-113980563-A	Method for preparing one-component semi-polyurea waterproof coating composition and one-component semi-polyurea waterproof coating composition	2021-12-24
CN-114032690-A	Polyurethane environment-friendly textile finishing agent and preparation method thereof	2021-12-03
CN-114133514-A	Preparation method of low-ring environment-friendly silicone oil applied to textiles	2021-12-03
CN-113754855-A	Spray-coating type polyurethane elastomer composition and preparation method thereof	2021-08-19
CN-113442056-A	Polishing pad, preparation method thereof and manufacturing method of semiconductor device	2021-07-15
CN-113334243-A	Chemical mechanical polishing pad, preparation method and application thereof	2021-06-03
CN-113246015-A	Polishing pad with end point detection window and application thereof	2021-05-25
CN-113035472-A	Preparation method of toughened rod-shaped porcelain insulator	2021-04-01
CN-112679694-A	Preparation method of high-performance polyurethane elastomer	2020-12-28
CN-112759736-A	High-temperature-resistant polyurethane elastomer and preparation method thereof	2020-12-28

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)