Basic information
- Standard SMILES
CC(CNC(=N)Cc1ccccc1)Oc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
QWSZTQDDJYCAGX-UHFFFAOYSA-N- Molecular formula
- C24H28N2O4S
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.17697855
Names & identifiers
- Preferred name
- N-(2-phenoxypropyl)phenylacetamidine p-toluenesulphonate
- IUPAC
- 4-methylbenzenesulfonic acid;N'-(2-phenoxypropyl)-2-phenylethanimidamide
Names & synonyms
QWSZTQDDJYCAGX-UHFFFAOYSA-NN-(2-phenoxypropyl)phenylacetamidine p-toluenesulphonate
Database identifiers
- PubChem CID
- 86734088
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
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