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Basic information
- CAS
23893-98-3- Standard SMILES
Nc1c(C(=O)OCCCCCCO)cc(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
LYPUAMVCOPJRES-UHFFFAOYSA-N- Molecular formula
- C21H21NO6
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.13688739
Names & identifiers
- Preferred name
- 6-Hydroxyhexyl 1-amino-9,10-dihydro-4-hydroxy-9,10-dioxoanthracene-2-carboxylate
- IUPAC
- 6-hydroxyhexyl 1-amino-4-hydroxy-9,10-dioxoanthracene-2-carboxylate
- English name
- 6-hydroxyhexyl 1-amino-9,10-dihydro-4-hydroxy-9,10-dioxoanthracene-2-carboxylate
- Molecular formula
- C21H21NO6
- Molecular weight
- 383.39
Names & synonyms
23893-98-36-Hydroxyhexyl 1-amino-9,10-dihydro-4-hydroxy-9,10-dioxoanthracene-2-carboxylateEINECS 245-932-06-hydroxyhexyl 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylateDTXSID00178591LYPUAMVCOPJRES-UHFFFAOYSA-NNS000275031-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenecarboxylic acid 6-hydroxyhexyl ester2-Anthracenecarboxylic acid, 1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-, 6-hydroxyhexyl ester
Database identifiers
- CAS
23893-98-3- PubChem CID
- 90294
- DTXSID
DTXSID00178591- EC Number
- 245-932-0
- Nikkaji
- J242.696J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Physicochemical properties
- Boiling point
- 658.9 · 658.9±55.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- pka
- 6.53 · 6.53±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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