Basic information
- CAS
16618-09-0- Standard SMILES
CCOC(=O)Oc1ccc(-c2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)cc1- InChIKey
YVTLJQCBKZMKOJ-UHFFFAOYSA-N- Molecular formula
- C23H18N2O7
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.11140092
Names & identifiers
- Preferred name
- 4-(4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthryl)phenyl ethyl carbonate
- IUPAC
- [4-(4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracen-2-yl)phenyl] ethyl carbonate
- English name
- 4-(4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthryl)phenyl ethyl carbonate
- Molecular formula
- C23H18N2O7
- Molecular weight
- 434.4
Names & synonyms
16618-09-04-(4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthryl)phenyl ethyl carbonateEINECS 240-666-1DTXSID60168079Carbonic acid, 4-(4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthracenyl)phenyl ethyl esterRefChem:513510DTXCID2090570240-666-1YVTLJQCBKZMKOJ-UHFFFAOYSA-N[4-(4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracen-2-yl)phenyl] ethyl carbonate4-(4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)phenyl ethyl carbonate32GP9DAG6S
Show more names
Carbonic acid 4-[(4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxoanthracen)-2-yl]phenyl=ethyl ester
NS00025437
Database identifiers
- CAS
16618-09-0
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 738
Physicochemical properties
- Boiling point
- 762.5 · 762.5±60.0 °C(Predicted)
- Density
- 1.517 · 1.517±0.06 g/cm3(Predicted)
- pka
- 5.39 · 5.39±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: Carbonic acid, 4-(4,8-diamino-9.10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthracenyl)phenyl ethyl ester
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
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Compound notes
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