2-(10-oxidoacridin-10-ium-9-yl)ethyl N-ethylcarbamate
Basic information
- CAS
56962-78-8- Standard SMILES
CCNC(=O)OCCc1c2ccccc2[n+]([O-])c2ccccc12- InChIKey
WADNDOSZSOWTJS-UHFFFAOYSA-N- Molecular formula
- C18H18N2O3
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.13174244
Names & identifiers
- Preferred name
- 2-(10-oxidoacridin-10-ium-9-yl)ethyl N-ethylcarbamate
- IUPAC
- 2-(10-oxidoacridin-10-ium-9-yl)ethyl N-ethylcarbamate
Names & synonyms
56962-78-8AC1N0XOMDTXSID60397988NSC175915NSC-1759152-(10-Oxo-10lambda~5~-acridin-9-yl)ethyl ethylcarbamate
Database identifiers
- CAS
56962-78-8- PubChem CID
- 3924512
- DTXSID
DTXSID60397988
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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