Basic information
- CAS
69093-18-1- Standard SMILES
CC(C)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O- InChIKey
DAHSRRGMYJJGTF-UHFFFAOYSA-N- Molecular formula
- C17H16N2O4
- Average molar mass
- 312.32 g/mol
- Monoisotopic mass
- 312.111007
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-((1-methylethyl)amino)-
- IUPAC
- 1-amino-4,8-dihydroxy-5-(propan-2-ylamino)anthracene-9,10-dione
- English name
- 1-amino-4,8-dihydroxy-5-[(1-methylethyl)amino]anthraquinone
- Molecular formula
- C17H16N2O4
- Molecular weight
- 312.31994
Names & synonyms
EINECS 273-862-09,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-[(1-methylethyl)amino]-DTXSID10719551-Amino-4,8-dihydroxy-5-(isopropylamino)anthraquinone9,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-((1-methylethyl)amino)-RefChem:548664DTXCID804645269093-18-11-AMINO-4,8-DIHYDROXY-5-(ISOPROPYLAMINO)ANTHRACENE-9,10-DIONESCHEMBL10808597DAHSRRGMYJJGTF-UHFFFAOYSA-N1-Amino-4,8-dihydroxy-5-[(1-methylethyl)amino]-9,10-anthracenedione
Show more names
1-amino-4,8-dihydroxy-5-[(1-methylethyl)amino]anthraquinone
3S48978S2PNS000368031-Amino-4,8-dihydroxy-5-((1-methylethyl)amino)anthraquinone1-Amino-4,8-dihydroxy-5-[(propan-2-yl)amino]anthracene-9,10-dione
Database identifiers
- CAS
69093-18-1- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-[(1-methylethyl)amino]- (69093-18-1)
- 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-4,8-dihydroxy-5-[(1-methylethyl)amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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