Basic information
- Standard SMILES
CCCC[N+]([O-])=Cc1ccc(OC)c(OCC)c1- InChIKey
YVGHQWPYZFMDMR-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- alpha-(3-Ethoxy-4-methoxyphenyl)-N-n-butylnitrone
- IUPAC
- N-butyl-1-(3-ethoxy-4-methoxyphenyl)methanimine oxide
Names & synonyms
SCHEMBL6155725YVGHQWPYZFMDMR-UHFFFAOYSA-Nalpha-(3-Ethoxy-4-methoxyphenyl)-N-n-butylnitrone
Database identifiers
- PubChem CID
- 86587899
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Related reactions
4 records
Compound notes
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