4,4'-Bis(diethylamino)benzophenone

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Product Information

Molecular Formula:
C21H28N2O
Molecular Weight:
324.46
Description
4,4'-Bis(diethylamino)benzophenone is a vital compound extensively employed in the biomedical industry for its diverse applications. Known to possess excellent photochemical properties, 4,4'-Bis(diethylamino)benzophenone acts as a crucial photosensitizer in photodynamic therapy (PDT) for treating various cancers, including skin, lung, and breast cancer. It efficiently combines with oxygen to generate reactive oxygen species, inducing cell death and inhibiting tumor growth.
Synonyms
ETHYL MICHLER'S KETONE; 4,4'-DIETHYLAMINOBENZOPHENONE; 4,4-BIS(DIETHYLAMINO) BENZOPHENONE; 4,4'-BIS(DIETHYLAMINO)BENZOPHENONE; MICHLER ETHYLKETONE; MICHLER'S ETHYL KETONE; P,P'-TETRAETHYLDIAMINOBENZOPHENONE; N,N,N',N'-TETRAETHYL-4,4'-DIAMINOBENZOPHENONE
IUPAC Name
bis[4-(diethylamino)phenyl]methanone
Canonical SMILES
CCN(CC)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC)CC
InChI
InChI=1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3
InChI Key
VYHBFRJRBHMIQZ-UHFFFAOYSA-N
Boiling Point
419-420 °C(lit.)
Melting Point
94 °C
Flash Point
303.8 °F
Purity
>90.0%(T)
Density
1.048 g/cm3
Appearance
YELLOW TO YELLOW-GREEN CRYSTALLINE GRANULES

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H410:
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
5.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
8
Exact Mass
324.220163521 g/mol
Monoisotopic Mass
324.220163521 g/mol
Topological Polar Surface Area
23.6Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
326
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-114058198-A Composition for packaging OLED, packaging film layer and OLED display 2022-01-07
JP-3236461-U Photosensitive resin composition for sandblasting 2021-12-21
JP-2022040133-A A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same. 2021-12-15
JP-2022043096-A Resin composition, method for manufacturing cured relief pattern, and semiconductor device 2021-12-01
CN-114010836-A Hemostatic dressing and preparation method thereof 2021-11-29
CN-114114837-A Dry film resist and preparation method thereof 2021-11-25
CN-114141896-A Composite material for front plate or back plate of photovoltaic module and preparation method and application thereof 2021-11-24
JP-2022031758-A A photosensitive resin composition, a photosensitive film using the photosensitive resin composition, a method for forming a resist pattern, and a printed wiring board. 2021-11-19
JP-2022019789-A Shape control device 2021-11-17
CN-113896694-A Polyfunctional group hybrid epoxy compound and photo-thermal dual-curing resin composition as well as preparation method and application thereof 2021-11-16

Literatures

PMID Publication Date Title Journal
19437724 2009-03-03 Three-dimensional biodegradable structures fabricated by two-photon polymerization Langmuir : the ACS journal of surfaces and colloids
18369292 2008-04-01 Conformations of substituted benzophenones Acta crystallographica. Section B, Structural science
16862986 2006-06-01 [Migration of bisphenol A and benzophenones from paper and paperboard products used in contact with food] Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan
16115986 2005-09-01 Barium hydroxide lime turns yellow after desiccation Anesthesia and analgesia
15962942 2005-06-01 Prediction of genotoxicity of chemical compounds by statistical learning methods Chemical research in toxicology
15207384 2004-08-01 Chemical analysis and genotoxicological safety assessment of paper and paperboard used for food packaging Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
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)

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