Basic information
- CAS
72275-97-9- Standard SMILES
Nc1ccc(O)c2c1C(=O)c1c(NCO)ccc(O)c1C2=O- InChIKey
RBHYYUCRMUOUNL-UHFFFAOYSA-N- Molecular formula
- C15H12N2O5
- Average molar mass
- 300.27 g/mol
- Monoisotopic mass
- 300.07462149
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-amino-4,5(or 4,8)-dihydroxy-8(or 5)-((hydroxymethyl)amino)-
- IUPAC
- 1-amino-4,5-dihydroxy-8-(hydroxymethylamino)anthracene-9,10-dione
Names & synonyms
EINECS 276-562-89,10-Anthracenedione, 1-amino-4,5(or 4,8)-dihydroxy-8(or 5)-((hydroxymethyl)amino)-9,10-Anthracenedione, 1-amino-4,5(or 4,8)-dihydroxy-8(or 5)-[(hydroxymethyl)amino]-RefChem:548660RBHYYUCRMUOUNL-UHFFFAOYSA-N1-Amino-4,5(or 4,8)-dihydroxy-8(or 5)-((hydroxymethyl)amino)anthraquinoneNS00124905
Database identifiers
- CAS
72275-97-9- PubChem CID
- 175017
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 9,10-Anthracenedione, 1-amino-4,5(or 4,8)-dihydroxy-8(or 5)-[(hydroxymethyl)amino]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-4,5(or 4,8)-dihydroxy-8(or 5)-[(hydroxymethyl)amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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