Quino(2,3-b)acridine-7,14-dione, 5,6,12,13-tetrahydro-

HCID 79973CAS 5862-38-4

Substructure search Find similar structures

Basic information

Standard SMILES: O=c1c2c([nH]c3ccccc13)Cc1c([nH]c3ccccc3c1=O)C2
InChIKey: SNDAOXYSCAWUFQ-UHFFFAOYSA-N
Molecular formula: C20H14N2O2
Average molar mass: 314.3 g/mol
Monoisotopic mass: 314.10552769

Names & identifiers

Preferred name: Quino(2,3-b)acridine-7,14-dione, 5,6,12,13-tetrahydro-
IUPAC: 5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione
English name: 5,6,12,13-tetrahydroquino[2,3-b]acridine-7,14-dione
Molecular formula: C20H14N2O2
Molecular weight: 314.33736

Names & synonyms

6,13-DihydroquinacridoneQuino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-5862-38-4EINECS 227-508-75,6,12,13-tetrahydroquino[2,3-b]acridine-7,14-dioneDTXSID4027606Quino(2,3-b)acridine-7,14-dione, 5,6,12,13-tetrahydro-5,6,12,13-Tetrahydroquino(2,3-b)acridine-7,14-dioneRefChem:871951DTXCID307606Quino2,3-bacridine-7,14-dione, 5,6,12,13-tetrahydro-227-508-7

Show more names

5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione6,13dihydroquinacridone6,13-dihydro-quinacridoneSCHEMBL2630572SCHEMBL29378703SCHEMBL30583743DB-263371NS00020528

Database identifiers

CAS: 5862-38-4
PubChem CID: 79973
DTXSID: DTXSID4027606
EC Number: 227-508-7
Nikkaji: J29.758E

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 24
Formal charge: 0
Complexity: 617

Experimental & physicochemical properties

Physical DescriptionOther Solid

Physicochemical properties

Boiling point: 554 · 554.0±50.0 °C(Predicted)
Density: 1.43 · 1.43±0.1 g/cm3(Predicted)
pka: -1.43 · -1.43±0.20(Predicted)
EPA Substance Registry System: 2 · Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro- (5862-38-4)
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 104 of 104 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 104 of 104 reports by companies.；There are 0 notifications provided by 0 of 104 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-

Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Quino2,3-bacridine-7,14-dione, 5,6,12,13-tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified