Basic information
- Standard SMILES
COc1ccc(C[N+](C)(C)CC(C)O)cc1[N+](=O)[O-]- InChIKey
KCUXRUNMEQIOHY-UHFFFAOYSA-N- Molecular formula
- C13H21N2O4+
- Average molar mass
- 269.32 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxypropyl-[(4-methoxy-3-nitrophenyl)methyl]-dimethylazanium
- IUPAC
- 2-hydroxypropyl-[(4-methoxy-3-nitrophenyl)methyl]-dimethylazanium
Database identifiers
- PubChem CID
- 20337004
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 304
Related reactions
1 records
Compound notes
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