1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one
Basic information
- CAS
86456-18-0- Standard SMILES
CN(C)CCNc1cccc2oc3ccc(O)cc3c(=O)c12- InChIKey
GTDOTAYBRNQTSR-UHFFFAOYSA-N- Molecular formula
- C17H18N2O3
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.13174244
Names & identifiers
- Preferred name
- 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-one
- IUPAC
- 1-[2-(dimethylamino)ethylamino]-7-hydroxyxanthen-9-one
Names & synonyms
86456-18-01-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-9H-xanthen-9-oneNSC354675NSC-3546751-{[2-(Dimethylamino)ethyl]amino}-7-hydroxy-9H-xanthen-9-oneNSC 354675XW82GP4MMKSCHEMBL11003508DTXSID302355651-(2-dimethylaminoethylamino)-7-hydroxy-xanthen-9-one1-(2-DIMETHYLAMINO-ETHYLAMINO)-7-HYDROXY-XANTHEN-9-ONE9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-
Database identifiers
- CAS
86456-18-0- PubChem CID
- 337292
- DTXSID
DTXSID30235565- UNII
- XW82GP4MMK
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…