Basic information
- CAS
23111-82-2- Standard SMILES
O=S(=O)(O)CCCN1CCN(Cc2ccccc2)CC1- InChIKey
COPMFUCJHBZEEX-UHFFFAOYSA-N- Molecular formula
- C14H22N2O3S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.13511374
Names & identifiers
- Preferred name
- 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid
- IUPAC
- 3-(4-benzylpiperazin-1-yl)propane-1-sulfonic acid
Names & synonyms
Piperazine, 1-benzyl-, propanesulfate23111-82-2DTXSID20177682RefChem:1070173DTXCID801001734-(Phenylmethyl)-1-piperazinepropanesulfonic acid3-(4-benzylpiperazin-1-yl)propane-1-sulfonic acid1-Benzylpiperazine propanesulfateBRN 08222701-Piperazinepropanesulfonic acid, 4-benzyl-SCHEMBL13255330
Database identifiers
- CAS
23111-82-2- PubChem CID
- 211441
- DTXSID
DTXSID20177682
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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