1-(3-Nitrophenyl)-2-[4-(2-phenylethyl)morpholin-4-ium-4-yl]ethanone
Basic information
- CAS
7469-58-1- Standard SMILES
O=C(C[N+]1(CCc2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1- InChIKey
KIMYXEYBTLSQDY-UHFFFAOYSA-N- Molecular formula
- C20H23N2O4+
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.16578222
Names & identifiers
- Preferred name
- 1-(3-Nitrophenyl)-2-[4-(2-phenylethyl)morpholin-4-ium-4-yl]ethanone
- IUPAC
- 1-(3-nitrophenyl)-2-[4-(2-phenylethyl)morpholin-4-ium-4-yl]ethanone
Names & synonyms
NSC4013837469-58-1CHEMBL1871712DTXSID10331211NSC-401383NCGC00184455-014-[2-(3-NITROPHENYL)-2-OXOETHYL]-4-(2-PHENYLETHYL)MORPHOLIN-4-IUM
Database identifiers
- CAS
7469-58-1- PubChem CID
- 436402
- DTXSID
DTXSID10331211- ChEMBL
CHEMBL1871712
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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