2,7-Diamino-9,10-anthracenedione
Basic information
- CAS
605-44-7- Standard SMILES
Nc1ccc2c(c1)C(=O)c1cc(N)ccc1C2=O- InChIKey
KJNHYKBXQOSFJR-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- 2,7-Diamino-9,10-anthracenedione
- IUPAC
- 2,7-diaminoanthracene-9,10-dione
- English name
- 2,7-diaminoanthracene-9,10-dione
- Molecular formula
- C14H10N2O2
- Molecular weight
- 238.24
Names & synonyms
605-44-79,10-Anthracenedione, 2,7-diamino-DTXSID20209235RefChem:1060364DTXCID401317262,7-Diamino-9,10-anthracenedione2,7-Diaminoanthraquinone2,7-diaminoanthracene-9,10-dione2,7-DiaminoanthrachinonMFCD01664478BRN 28093812,7-Diaminoanthrachinon [Czech]
Show more names
ANTHRAQUINONE, 2,7-DIAMINO-9,10-Anthracenedione, 2,7-diamino- (9CI)CHEMBL454957SCHEMBL3135129AC9258SB81280PD180222SY253157
Database identifiers
- CAS
605-44-7- PubChem CID
- 11798
- DTXSID
DTXSID20209235- ChEMBL
CHEMBL454957- Nikkaji
- J55.272K
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 350
Physicochemical properties
- Melting point
- 330 °C · >330 °C
- Boiling point
- 380.84 °C · 380.84°C (rough estimate)
- Density
- 1.1907 · 1.1907 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.5 · 1.50±0.20(Predicted)
- Appearance
- Yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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