1,4-Diaminoanthraquinone

Product Information

Molecular Formula:
C14H10N2O2
Molecular Weight:
238.245
Description
Stability: Light SensitiveApplications: An anthraquinone derivative that is a potent and selective protein kinase CK1 delta inhibitor. Studies suggest that it has potential solar cell applications. Used in studies as a potential competitive non-peptidic inhibitor of HIV-1 proteinase. Dyes and metabolites, Environmental Testing.
Synonyms
1,4-Diaminoanthraquinone; 128-95-0; 1,4-diaminoanthracene-9,10-dione; Disperseviolet1; Krisolamine; AcetateRedVioletR
IUPAC Name
1,4-diaminoanthracene-9,10-dione
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)N
InChI
InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
InChI Key
FBMQNRKSAWNXBT-UHFFFAOYSA-N
Boiling Point
544.2ºC at 760 mmHg
Melting Point
265-269ºC
Flash Point
340 °C
Purity
95%
Density
1.456g/cm3
Appearance
violet powder
Application
Used as a hair dye.
Storage
Amber Vial, Refrigerator
Refractive Index
1.6500 (estimate)

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305:
IF IN EYES:
P338:
Remove contact lenses if present and easy to do. Continue rinsing.
P351:
Rinse cautiously with water for several minutes.

Computed Properties

XLogP3
2.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
238.074227566 g/mol
Monoisotopic Mass
238.074227566 g/mol
Topological Polar Surface Area
86.2Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
346
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
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
CN-114163359-A Method for preparing 1, 4-diaminoanthraquinone-2-sulfonic acid by virtue of supergravity reactor 2021-12-14
CN-113980194-A Organic silicon modified hydroxyl epoxy acrylic resin, UV ink and preparation method thereof 2021-12-13
CN-114181375-A Cross-linked quinone polymer and preparation method and application thereof 2021-11-25
CN-113999383-A Carbon dioxide-based high-molecular dye and preparation method and application thereof 2021-11-16
CN-113973840-A Amino anthraquinone sensitized molybdenum disulfide composite photocatalytic antibacterial material and preparation method thereof 2021-11-12
CN-113881243-A Deep red dye compound and preparation method and dyeing application thereof 2021-11-08
CN-113930085-A Sun-proof anthraquinone disperse dye and preparation method thereof 2021-11-08
CN-113861385-A High-thermal-conductivity epoxy resin cured product and preparation method thereof 2021-10-27
CN-113929081-A Up-down conversion dual-emission panchromatic spectrum carbon dot and synthesis method and application thereof 2021-10-13

Literatures

PMID Publication Date Title Journal
31967339 2020-05-01 Effects of hair dye ingredients on the oxidative stress response: Modulation of the mRNA expressions of NRF2, HO-1, and FOS in HaCaT keratinocytes Contact dermatitis
20707409 2010-08-16 Estrogenic activity of anthraquinone derivatives: in vitro and in silico studies Chemical research in toxicology
20138571 2010-04-01 Estimation of the ground and the first excited singlet-state dipole moments of 1,4-disubstituted anthraquinone dyes by the solvatochromic method Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
20095623 2010-02-25 Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists Journal of medicinal chemistry
19531892 2009-06-01 Speciation determination of chromium using 1,4-diaminoanthraquinone with spectrophotometric and spectrofluorometric methods Analytical sciences : the international journal of the Japan Society for Analytical Chemistry
19384274 2009-04-02 Synthesis of new naphtho[2,3-f]quinoxaline-2,7,12(1H)-trione and anthra-9,10-quinone dyes from furan-2,3-diones Molecules (Basel, Switzerland)
18799313 2008-10-15 Identification of novel protein kinase CK1 delta (CK1delta) inhibitors through structure-based virtual screening Bioorganic & medicinal chemistry letters
18271981 2007-10-10 Role of reaction kinetics and mass transport in glucose sensing with nanopillar array electrodes Journal of biological engineering
17689076 2007-09-15 Synthesis and antibacterial activity of some novel chiral fluorophoric biscyclic macrocycles Bioorganic & medicinal chemistry letters
15916874 2005-07-14 Development of a simple method for predicting the levels of di(2-ethylhexyl) phthalate migrated from PVC medical devices into pharmaceutical solutions International journal of pharmaceutics
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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