Basic information
- Standard SMILES
CC(CN)Oc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
URZZIVCRFGKRNF-UHFFFAOYSA-N- Molecular formula
- C16H21NO4S
- Average molar mass
- 323.4 g/mol
Names & identifiers
- Preferred name
- 2-Phenoxypropylamine p-toluenesulphonate
- IUPAC
- 4-methylbenzenesulfonic acid;2-phenoxypropan-1-amine
Names & synonyms
URZZIVCRFGKRNF-UHFFFAOYSA-N2-phenoxypropylamine p-toluenesulphonate
Database identifiers
- PubChem CID
- 21504337
Properties
Computed structural properties
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 306
Related reactions
1 records
Compound notes
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