Grundinformationen
- Standard-SMILES
Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
FBMQNRKSAWNXBT-UHFFFAOYSA-N- Summenformel
- C14H10N2O2
- Durchschnittliche Molmasse
- 238,24 g/mol
- Monoisotopische Masse
- 238,07422757
Namen und Bezeichner
- Bevorzugter Name
- Disperse Violet 1
- IUPAC
- 1,4-diaminoanthracene-9,10-dione
- Lokaler Name
- 1,4-Diaminoanthrachinon
- Englischer Name
- 1,4-Diamino anthraquinone
- Summenformel
- C14H10N2O2
- Molmasse
- 238.24
Namen und Synonyme
1,4-Diaminoanthraquinone128-95-0Disperse violet 1KrisolamineAcetate Red Violet ROracet Violet 2RCibacet Violet 2R9,10-Anthracenedione, 1,4-diamino-Grasol Violet RSeacyl Violet RSetacyl Violet RDisperse Violet K
Weitere Namen anzeigen
1,4-diaminoanthracene-9,10-dioneCI 611001,4-diamino-9,10-anthracenedioneNSC 7833NSC 63807oilvioletrViolet ER
C.I. Disperse Violet 1Gracet Violet 2RResiren Violet TRSetile Violet 3RAmacel heliotrope RDuranol Violet 2RNacelan Violet 4RDispersive Violet K
Datenbank-Bezeichner
- CAS
128-95-0、71775-54-7- PubChem CID
- 31420
- DTXSID
DTXSID2041252- ChEMBL
CHEMBL86771- UNII
- N21HDQ0TKN
- EC Number
- 204-922-6、615-398-7
- Nikkaji
- J3.264F、J710.752H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 86,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 346
Physikochemische Eigenschaften
- Schmelzpunkt
- 265 · 265-269 °C(lit.)
- Siedepunkt
- 380.84 °C · 380.84°C (rough estimate)
- Dichte
- 1.44 g/cm3 · 1.44 g/cm3 (20℃)
- Dampfdruck
- 1 hPa · <1 hPa (25 °C)
- Brechungsindex
- 1.65 · 1.6500 (estimate)
- Flammpunkt
- 340 °C · 340 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Soluble in benzene, pyridine, the difficulties, slightly soluble in hot aniline acetate, ethanol.
- pka
- 1.17 · 1.17±0.20(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Dark Violet to Black
- PH
- 7 · 7 (H2O, 20℃)
- Wasserlöslichkeit
- 228.7 ug/L · 228.7ug/L(25 ºC)
- BRN
- 2216556 · 2216556
- Henry's Law Constant
- 2.1 · 2.1×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Stabilität
- Light Sensitive
- Kosmetik-Inhaltsstoffe Funktionen
- COLORANTHAIR DYEING
- 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
- SMILES
- Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
- LogP
- 3 · 3.000
- CAS Datenbank
- 128 · 128-95-0(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1,4-Diaminoanthraquinone(128-95-0)
- EPA chemische Informationen
- 1 · 1,4-Diaminoanthraquinone (128-95-0)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29223990
- RTECS-Nr.
- CB6300000
- risk_code
- 22
- Toxizität
- LD50 orally in Rabbit: 5790 mg/kg
- safety_code
- 22-36/37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1
- Selbstentzündungstemperatur
- >400 °C
Chemie und Industrie
Anwendungen
VerwendenAs an anthraquinone derivative, 1,4-Diamino anthraquinone is a potent and selective protein kinase CK1 delta inhibitor. Studies suggest that it has potential solar cell applications. 1,4-Diamino anthraquinone can be used in studies as a potential competitive non-peptidic inhibitor of HIV-1 proteinase.
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