Basic information
- Standard SMILES
CCCOc1ccccc1C(=N)N.COS(=O)(=O)O- InChIKey
PCIWGHJCGMRZDJ-UHFFFAOYSA-N- Molecular formula
- C11H18N2O5S
- Average molar mass
- 290.34 g/mol
Names & identifiers
- Preferred name
- n-Propoxybenzamidine methyl sulfate
- IUPAC
- methyl hydrogen sulfate;2-propoxybenzenecarboximidamide
Names & synonyms
SCHEMBL11629229PCIWGHJCGMRZDJ-UHFFFAOYSA-Nn-propoxybenzamidine methyl sulfate2-n-Propoxybenzamidine methyl sulfate
Database identifiers
- PubChem CID
- 86734867
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 274
Related reactions
5 records
Compound notes
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