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
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.
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.
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
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 |
