2-(4-(4-Methylbenzenesulfonyl)piperazin-1-yl)acetic acid hydrochloride
Basic information
- CAS
1171325-50-0- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)O)CC2)cc1.Cl- InChIKey
ZRGCLEKXOSMGHI-UHFFFAOYSA-N- Molecular formula
- C13H19ClN2O4S
- Average molar mass
- 334.82 g/mol
- Monoisotopic mass
- 334.075406
Names & identifiers
- Preferred name
- 2-(4-(4-Methylbenzenesulfonyl)piperazin-1-yl)acetic acid hydrochloride
- IUPAC
- 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetic acid;hydrochloride
Names & synonyms
1171325-50-02-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]acetic acid hydrochloride2-(4-(4-Methylbenzenesulfonyl)piperazin-1-yl)acetic acid hydrochlorideRefChem:456358999-814-52-(4-Tosylpiperazin-1-yl)acetic acid hydrochloride2-(4-[(4-Methylbenzene)sulfonyl]piperazin-1-yl)acetic acid hydrochloride2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetic acid;hydrochloride2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetic acid;hydrochloride2-{4-[(4-methylbenzene)sulfonyl]piperazin-1-yl}acetic acid hydrochlorideWWB32550EN300-42917
Show more names
G199332-(4-Tosylpiperazin-1-yl)aceticacidhydrochlorideZ449369030
Database identifiers
- CAS
1171325-50-0- PubChem CID
- 42933293
- EC Number
- 999-814-5
Properties
Computed structural properties
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 430
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, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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