Basic information
- CAS
77162-58-4- Standard SMILES
O=[N+]([O-])c1nccn1CCCCCCCCCCCN1CCOCC1- InChIKey
PMPOUNWOSJRUNV-UHFFFAOYSA-N- Molecular formula
- C18H32N4O3
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.2474409
Names & identifiers
- Preferred name
- 4-[11-(2-Nitroimidazol-1-yl)undecyl]morpholine
- IUPAC
- 4-[11-(2-nitroimidazol-1-yl)undecyl]morpholine
Names & synonyms
MLS00338933677162-58-4NSC313393CHEMBL2136446DTXSID20317243NSC-313393SMR0020489914-[11-(2-Nitro-1H-imidazol-1-yl)undecyl]morpholine
Database identifiers
- CAS
77162-58-4- PubChem CID
- 329604
- DTXSID
DTXSID20317243- ChEMBL
CHEMBL2136446
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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