Basic information
- CAS
321970-62-1- Standard SMILES
O=C(O)C1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1- InChIKey
NEGZMRXQWUTVEF-UHFFFAOYSA-N- Molecular formula
- C12H14N2O6S
- Average molar mass
- 314.32 g/mol
- Monoisotopic mass
- 314.05725734
Names & identifiers
- Preferred name
- 1-(4-Nitrobenzenesulfonyl)piperidine-3-carboxylic acid
- IUPAC
- 1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylic acid
Names & synonyms
1-(4-nitrobenzenesulfonyl)piperidine-3-carboxylic acid321970-62-1RefChem:425956107-659-41-[(4-nitrophenyl)sulfonyl]piperidine-3-carboxylic acid1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylic acidOprea1_265610Oprea1_449705SCHEMBL23362073WMA97062SBB039087AKOS000267389
Show more names
AKOS016038987CS-0220638ST50046277EN300-07154G21053AF-399/083380191-(4-nitrobenzenesulfonyl)piperidine-3-carboxylicacidZ45543242
Database identifiers
- CAS
321970-62-1- PubChem CID
- 3107293
- EC Number
- 107-659-4
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 501
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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