1-(Morpholin-4-ylmethyl)naphthalen-2-yl 4-nitrobenzoate
Basic information
- CAS
5398-98-1- Standard SMILES
O=C(Oc1ccc2ccccc2c1CN1CCOCC1)c1ccc([N+](=O)[O-])cc1- InChIKey
RKMVKMFTSFMHJQ-UHFFFAOYSA-N- Molecular formula
- C22H20N2O5
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.13722174
Names & identifiers
- Preferred name
- 1-(Morpholin-4-ylmethyl)naphthalen-2-yl 4-nitrobenzoate
- IUPAC
- [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 4-nitrobenzoate
Names & synonyms
5398-98-11-(morpholin-4-ylmethyl)naphthalen-2-yl 4-nitrobenzoateNSC3687DTXSID10277721NSC-36871-[(Morpholin-4-yl)methyl]naphthalen-2-yl 4-nitrobenzoate
Database identifiers
- CAS
5398-98-1- PubChem CID
- 220665
- DTXSID
DTXSID10277721
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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