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

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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
378.1629543 g/mol
Monoisotopic Mass
378.1629543 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
369
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

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The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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