2-(Piperazin-1-yl)ethane-1-sulfonamide
Basic information
- CAS
1247536-63-5- Standard SMILES
NS(=O)(=O)CCN1CCNCC1- InChIKey
FCTYJVALVSCHEV-UHFFFAOYSA-N- Molecular formula
- C6H15N3O2S
- Average molar mass
- 193.27 g/mol
- Monoisotopic mass
- 193.0884979
Names & identifiers
- Preferred name
- 2-(Piperazin-1-yl)ethane-1-sulfonamide
- IUPAC
- 2-piperazin-1-ylethanesulfonamide
- English name
- 2-(piperazin-1-yl)ethane-1-sulfonamide
- Molecular formula
- C6H15N3O2S
- Molecular weight
- 193.27
Names & synonyms
2-(piperazin-1-yl)ethane-1-sulfonamide1247536-63-52-piperazin-1-ylethanesulfonamide1-PiperazineethanesulfonamideSCHEMBL12668631XZB53663AKOS010808440DB-132959EN300-93065Z825378758
Database identifiers
- CAS
1247536-63-5- PubChem CID
- 54595802
- EC Number
- 113-313-3
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 378.1 · 378.1±52.0 °C(Predicted)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- pka
- 10.67 · 10.67±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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