Basic information
- CAS
55276-43-2- Standard SMILES
CS(=O)(=O)N1CC[NH2+]CC1- InChIKey
ZZAKLGGGMWORRT-UHFFFAOYSA-O- Molecular formula
- C5H13N2O2S+
- Average molar mass
- 165.24 g/mol
- Monoisotopic mass
- 165.06922508
Names & identifiers
- Preferred name
- 4-(Methanesulfonyl)piperazin-1-ium
- IUPAC
- 1-methylsulfonylpiperazin-4-ium
- English name
- 1-Methanesulfonyl-piperazine
- Molecular formula
- C5H12N2O2S
- Molecular weight
- 164.23
Names & synonyms
DTXSID309706014-(Methanesulfonyl)piperazin-1-ium1-(METHYLSULFONYL)PIPERAZINEAKOS B0039611-mesylpiperazineTIMTEC-BB SBB007001ART-CHEM-BB B003961ART-CHEM-BB B022241IFLAB-BB F2124-0764CHEMBRDG-BB 30039611-METHYLSULPHONYLPIPERAZINE1-Methanesulfonyl-piperzaine
Database identifiers
- CAS
55276-43-2- PubChem CID
- 6924816
- DTXSID
DTXSID30970601
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 188
Physicochemical properties
- Melting point
- 99 °C · 99 °C
- Boiling point
- 280.6 · 280.6±50.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 7.78 · 7.78±0.10(Predicted)
- form
- Solid
- color
- White to Almost white
- Water Solubility
- Slightly soluble in water.
- CAS DataBase Reference
- 55276 · 55276-43-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-20/21/22
Safety & regulation
Safety data
- hs_code
- 29339900
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-24/25-23
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1-(Methylsulfonyl)piperazine is employed as a intermediate for pharmaceutical and chemical research.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
2 records
Compound notes
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