4-Methylpiperazine-1-sulfonic acid
Basic information
- CAS
116833-23-9- Standard SMILES
CN1CCN(S(=O)(=O)O)CC1- InChIKey
GQPIVVPQPRWBML-UHFFFAOYSA-N- Molecular formula
- C5H12N2O3S
- Average molar mass
- 180.23 g/mol
- Monoisotopic mass
- 180.05686342
Names & identifiers
- Preferred name
- 4-Methylpiperazine-1-sulfonic acid
- IUPAC
- 4-methylpiperazine-1-sulfonic acid
- English name
- 1-Piperazinesulfonicacid,4-methyl-(9CI)
- Molecular formula
- C5H12N2O3S
- Molecular weight
- 180.23
Names & synonyms
4-METHYLPIPERAZINE-1-SULFONIC ACID116833-23-9Sildenafil Impurity 781-Piperazinesulfonicacid, 4-methyl-1-Piperazinesulfonicacid,4-methyl-(9CI)SCHEMBL2778744DTXSID30564185GQPIVVPQPRWBML-UHFFFAOYSA-N4-methyl-piperazine-1-sulfonic acid1-Piperazinesulfonic acid, 4-methyl-
Database identifiers
- CAS
116833-23-9- PubChem CID
- 14799127
- DTXSID
DTXSID30564185
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- -0.21 · -0.21±0.20(Predicted)
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Compound notes
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