Ethyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate
Basic information
- CAS
890281-18-2- Standard SMILES
CCOC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1- InChIKey
AFCOFRSAZNSZDI-UHFFFAOYSA-N- Molecular formula
- C14H20N2O4S
- Average molar mass
- 312.39 g/mol
- Monoisotopic mass
- 312.1143783
Names & identifiers
- Preferred name
- Ethyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate
- IUPAC
- ethyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate
Names & synonyms
Ethyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate890281-18-2ethyl 2-(4-(benzenesulfonyl)piperazin-1-yl)acetateRefChem:593835999-778-0SCHEMBL6745789STK482122AKOS003343724CS-0248912ST50840113EN300-41879ethyl 2-[4-(phenylsulfonyl)piperazinyl]acetate
Show more names
G21682ethyl [4-(phenylsulfonyl)piperazin-1-yl]acetateethyl [4-(benzenesulfonyl)piperazin-1-yl]acetateEthyl2-[4-(benzenesulfonyl)piperazin-1-yl]acetateZ105184750
Database identifiers
- CAS
890281-18-2- PubChem CID
- 4463428
- EC Number
- 999-778-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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%)
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Related reactions
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Compound notes
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