9,10-Anthracenedione, 1-amino-2-[[2-(dimethylamino)ethyl]thio]-4-(phenylamino)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
16388-74-2- Standard SMILES
CN(C)CCSc1cc(Nc2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O- InChIKey
MKHJJUBOMCBUMW-UHFFFAOYSA-N- Molecular formula
- C24H23N3O2S
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.15109816
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-amino-2-[[2-(dimethylamino)ethyl]thio]-4-(phenylamino)-
- IUPAC
- 1-amino-4-anilino-2-[2-(dimethylamino)ethylsulfanyl]anthracene-9,10-dione
- English name
- 1-amino-4-anilino-2-[[2-(dimethylamino)ethyl]thio]anthraquinone
- Molecular formula
- C24H23N3O2S
- Molecular weight
- 417.52
Names & synonyms
EINECS 240-439-79,10-Anthracenedione, 1-amino-2-[[2-(dimethylamino)ethyl]thio]-4-(phenylamino)-DTXSID9066043Anthraquinone, 1-amino-4-anilino-2-((2-(dimethylamino)ethyl)thio)-9,10-Anthracendione, 1-amino-4-(phenylamino)-2-((2-(dimethylamino)ethyl)thio)-9,10-Anthracenedione, 1-amino-2-((2-(dimethylamino)ethyl)thio)-4-(phenylamino)-RefChem:548644DTXCID303526216388-74-2MKHJJUBOMCBUMW-UHFFFAOYSA-N1-amino-4-anilino-2-[2-(dimethylamino)ethylsulfanyl]anthracene-9,10-dioneNS00025353
Show more names
1-amino-4-anilino-2-[[2-(dimethylamino)ethyl]thio]anthraquinone
1-Amino-4-anilino-2-((2-(dimethylamino)ethyl)thio)anthraquinone1-Amino-4-anilino-2-{[2-(dimethylamino)ethyl]sulfanyl}anthracene-9,10-dione
Database identifiers
- CAS
16388-74-2- PubChem CID
- 85390
- DTXSID
DTXSID9066043- EC Number
- 240-439-7
- Nikkaji
- J33.347F
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 622
Physicochemical properties
- Boiling point
- 605.2 · 605.2±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 8 · 8+-.0.28(Predicted)
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-2-[[2-(dimethylamino)ethyl]thio]-4-(phenylamino)- (16388-74-2)
- 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-amino-2-[[2-(dimethylamino)ethyl]thio]-4-(phenylamino)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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