(2S)-1-(ethanesulfonyl)piperidine-2-carboxylic acid
Basic information
- CAS
1567974-43-9- Standard SMILES
CCS(=O)(=O)N1CCCC[C@H]1C(=O)O- InChIKey
HXVVJOWQWVXOIT-ZETCQYMHSA-N- Molecular formula
- C8H15NO4S
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.07217913
Names & identifiers
- Preferred name
- (2S)-1-(ethanesulfonyl)piperidine-2-carboxylic acid
- IUPAC
- (2S)-1-ethylsulfonylpiperidine-2-carboxylic acid
Names & synonyms
1567974-43-9(2S)-1-(ethanesulfonyl)piperidine-2-carboxylic acidRefChem:397799964-617-5(2S)-1-(ethanesulfonyl)piperidine-2-carboxylicacid(S)-1-(Ethylsulfonyl)piperidine-2-carboxylic acidAKOS015607801CS-0250423EN300-5079701
Database identifiers
- CAS
1567974-43-9- PubChem CID
- 28820145
- EC Number
- 964-617-5
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 306
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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