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
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
544.2°C at 760 mmHg
Melting Point
265-269°C
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.
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.
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 |
