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128-95-0 molecular structure
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1,4-diamino-9,10-dihydroanthracene-9,10-dione

ChemBase ID: 109808
Molecular Formular: C14H10N2O2
Molecular Mass: 238.2414
Monoisotopic Mass: 238.07422757
SMILES and InChIs

SMILES:
Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
Canonical SMILES:
Nc1ccc(c2c1C(=O)c1ccccc1C2=O)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
InChIKey:
FBMQNRKSAWNXBT-UHFFFAOYSA-N

Cite this record

CBID:109808 http://www.chembase.cn/molecule-109808.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-diamino-9,10-dihydroanthracene-9,10-dione
IUPAC Traditional name
disperse violet 1
Synonyms
1,4-DIAMINOANTHRAQUINONE TECHNICAL GRADE
1,4-Diaminoanthraquinone
1,4-Diaminoanthracene-9,10-dione
1,4-Diamino-9,10-anthraquinone
Acetate Red Violet R
Acetoquinone Light Heliotrope NL
Acetylon Fast Red Violet R
Akasperse Violet 3R
Amacel Heliotrope R
Cibacet Violet 2R
C.I. 61100
NSC 63807
NSC 7833
Krisolamine
Violet 14447
1,4-Diaminoanthraquinone
1,4-二氨基蒽醌
CAS Number
128-95-0
EC Number
204-922-6
MDL Number
MFCD00001224
Beilstein Number
2216556
PubChem SID
162095357
24862847
PubChem CID
31420

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.556284  LogD (pH = 7.4) 2.5607963 
Log P 2.5608542  Molar Refractivity 70.5518 cm3
Polarizability 25.582048 Å3 Polar Surface Area 86.18 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Dark Violet Solid expand Show data source
Melting Point
~260 °C expand Show data source
254-257°C expand Show data source
260-265°C expand Show data source
265-269 °C(lit.) expand Show data source
Flash Point
340 °C expand Show data source
644 °F expand Show data source
Storage Condition
Amber Vial, Refrigerator expand Show data source
RTECS
CB6300000 expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
22 expand Show data source
Safety Statements
36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P264-P270-P301+P310-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥90% (HPLC) expand Show data source
90% expand Show data source
95+% expand Show data source
97% expand Show data source
tech. 90% expand Show data source
Grade
TECHNICAL expand Show data source
technical expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C14H10N2O2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05212648 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 367834 external link
Packaging
100 g in poly bottle
Toronto Research Chemicals - D416080 external link
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.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Cozza, G. et al.: Bioorg. Med. Chem. Lett., 18, 5672 (2008)
  • • Brovelli, F. et al.: Polym. Bull., 58, 521 (2008)
  • • Brinkworth, R.I. et al.: Biochim. Biophys. Acta, Prot. Struct. Mol. Enzymol., 1253, 5 (2008)
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PATENTS

PATENTS

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INTERNET

INTERNET

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