1-(Methylamino)-4-((1-methylethyl)amino)anthraquinone
Completing data — refresh the page later to see the latest
Basic information
- CAS
15403-56-2- Standard SMILES
CNc1ccc(NC(C)C)c2c1C(=O)c1ccccc1C2=O- InChIKey
VPUMFVBIIVCLPO-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Names & identifiers
- Preferred name
- 1-(Methylamino)-4-((1-methylethyl)amino)anthraquinone
- IUPAC
- 1-(methylamino)-4-(propan-2-ylamino)anthracene-9,10-dione
- English name
- Solvent Blue 102
- Molecular formula
- C18H18N2O2
- Molecular weight
- 294.35
Names & synonyms
15403-56-2Solvent Blue 1021-(Methylamino)-4-((1-methylethyl)amino)anthraquinone1-(methylamino)-4-(propan-2-ylamino)anthracene-9,10-dione1-(ISOPROPYLAMINO)-4-(METHYLAMINO)ANTHRACENE-9,10-DIONEEINECS 239-420-6VPUMFVBIIVCLPO-UHFFFAOYSA-NSCHEMBL29721704DTXSID0016552288R726QBG31-(Methylamino)-4-[(1-methylethyl)amino]-9,10-anthracenedioneNS00021019
Show more names
C.I.61501Blue 102C.I.Solvent Blue 102C.I.Solvent Blue 102:C.I.61501Solvent Blue 102 ISO 9001：2015 REACH1-isopropylamino-4-methylamino-anthraquinone1-(methylamino)-4-[(1-methylethyl)amino]anthraquinone
1-(Methylamino)-4-[(propan-2-yl)amino]anthracene-9,10-dione9,10-Anthracenedione, 1-(methylamino)-4-[(1-methylethyl)amino]-
Database identifiers
- CAS
15403-56-2- PubChem CID
- 84896
- DTXSID
DTXSID00165522- UNII
- 88R726QBG3
- EC Number
- 239-420-6
- Nikkaji
- J218.419B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 216 · 216-217 °C
- Boiling point
- 531.8 · 531.8±50.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 6.56 · 6.56±0.20(Predicted)
Chemistry & industry
Preparation methods
Preparation1-Bromo-4-(methylamino)anthracene-9,10-dione and Propan-2-amine condensation.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…