Basic information
- CAS
12769-16-3- Standard SMILES
CNc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O- InChIKey
TVBNRFCUTVWHQB-UHFFFAOYSA-N- Molecular formula
- C21H16N2O2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12117776
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)-
- IUPAC
- 1-anilino-4-(methylamino)anthracene-9,10-dione
- English name
- ORACET BLUE
- Molecular formula
- C21H16N2O2
- Molecular weight
- 328.36
Names & synonyms
3179-96-29,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)-EINECS 221-667-6DTXSID5062897RefChem:548633DTXCID403842512769-16-31-(Methylamino)-4-(phenylamino)anthracene-9,10-dioneOracet Blue BSolvent blue 19Disperse blue 24C.I. Solvent Blue 19
Show more names
Blue BZLORACET BLUEorcet blue bLABOTEST-BB LT00847534ORACET BLUE B FOR MICROSCOPY
1-anilino-4-(methylamino)anthracene-9,10-dione1-(Methylamino)-4-(phenylamino)anthraquinone1-Anilino-4-(methylamino)anthraquinoneC.I. Solvent Blue 19 (9CI)MFCD001514981-(methylamino)-4-(phenylamino)-9,10-dihydroanthracene-9,10-dione4-(methylamino)-1-(phenylamino)anthracene-9,10-dioneCZ6VVW7SRT
Database identifiers
- CAS
12769-16-3、3179-96-2- PubChem CID
- 76647
- DTXSID
DTXSID5062897- UNII
- CZ6VVW7SRT
- EC Number
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- InChI
- InChI=1S/C21H16N2O2/c1-22-16-11-12-17(23-13-7-3-2-4-8-13)19-18(16)20(24)14-9-5-6-10-15(14)21(19)25/h2-12,22-23H,1H3
- InChIKey
- TVBNRFCUTVWHQB-UHFFFAOYSA-N
- SMILES
- C12C(=O)C3=C(C=CC=C3)C(=O)C1=C(NC)C=CC=2NC1=CC=CC=C1
- CAS DataBase Reference
- 12769 · 12769-16-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)-: INACTIVE
Applications
UsesC.I. Solvent Blue 19 can be used for multiplex detection of nucleic acids using mixed reporters.It is used in preparation disperse liquid crystal used in display screen.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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