Basic information
- CAS
1758-64-1- Standard SMILES
Nc1ccc2c(c1)C(=O)c1cccc(N)c1C2=O- InChIKey
UDBLWRCGYSQDGK-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- 1,6-Diaminoanthraquinone
- IUPAC
- 1,6-diaminoanthracene-9,10-dione
- English name
- 1,6-Diaminoanthraquinone
- Molecular formula
- C14H10N2O2
- Molecular weight
- 238.24
Names & synonyms
1758-64-19,10-Anthracenedione, 1,6-diamino-1,6-DIAMINOANTHRAQUINONENSC-398853HD8X68Y4INSC 398851,6-DIAMINO-9,10-ANTHRAQUINONEDTXSID60619491,6-DIAMINO-9,10-ANTHRACENEDIONERefChem:417563DTXCID50355851,6-diaminoanthracene-9,10-dione
Show more names
NSC398859, 1,6-diamino-1,6-Diamino-anthrachinonUNII-3HD8X68Y4ISCHEMBL4444783SCHEMBL29361856UDBLWRCGYSQDGK-UHFFFAOYSA-N
Database identifiers
- CAS
1758-64-1- PubChem CID
- 74473
- DTXSID
DTXSID6061949- UNII
- 3HD8X68Y4I
- Nikkaji
- J80.309J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 292 °C · 292 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 551.9 · 551.9±50.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
- pka
- 0.95 · 0.95±0.20(Predicted)
- FDA UNII
- 3 HD8X68Y4I · 3HD8X68Y4I
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,6-diamino- (1758-64-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,6-diamino-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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