Basic information
- CAS
116-77-8- Standard SMILES
Cc1ccc(Nc2cc(C)c(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
BYGSHXHLDPUXIF-UHFFFAOYSA-N- Molecular formula
- C22H18N2O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.13682782
Names & identifiers
- Preferred name
- 1-Amino-2-methyl-4-((4-methylphenyl)amino)anthraquinone
- IUPAC
- 1-amino-2-methyl-4-(4-methylanilino)anthracene-9,10-dione
- English name
- 1-amino-2-methyl-4-[(4-methylphenyl)amino]anthraquinone
- Molecular formula
- C22H18N2O2
- Molecular weight
- 342.39
Names & synonyms
116-77-8Blue RKO base1-Amino-2-methyl-4-((4-methylphenyl)amino)anthraquinone1-amino-2-methyl-4-(4-methylanilino)anthracene-9,10-dione1-amino-2-methyl-4-(p-tolylamino)anthracene-9,10-dioneJD2C43D2RN1-AMINO-2-METHYL-4-[(4-METHYLPHENYL)AMINO]ANTHRAQUINONE1-Amino-2-methyl-4-p-toluidinoanthraquinoneC.I.Solvent Blue 13EINECS 204-157-8UNII-JD2C43D2RNDTXSID20151260
Show more names
Solvent Blue 13C.I.Solvent Blue 13:C.I.620801-amino-2-methyl-4-(4-methylanilino)-9,10-anthraquinone1-azanyl-2-methyl-4-[(4-methylphenyl)amino]anthracene-9,10-dione9,10-Anthracenedione, 1-amino-2-methyl-4-[(4-methylphenyl)amino]-
BYGSHXHLDPUXIF-UHFFFAOYSA-N9,10-Anthracenedione, 1-amino-2-methyl-4-((4-methylphenyl)amino)-FS41460NS000209331-amino-2-methyl-4-p-toluidino anthraquinone1-AMINO-2-METHYL-4-((4-METHYLPHENYL)AMINO)-9,10-ANTHRACENEDIONE
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 588.7 · 588.7±50.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 0.48 · 0.48±0.20(Predicted)
- FDA UNII
- 2 C43D2RN · JD2C43D2RN
Chemistry & industry
Preparation methods
Preparation1-Amino-4-bromo-2-methylanthracene-9,10-dione or 1-Amino-4-chloro-2-methylanthracene-9,10-dioneand p-Methylaniline condensation.
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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