1-((4-Methylphenyl)sulfonyl)piperidine-2-carboxylic acid
Basic information
- CAS
144630-15-9- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1- InChIKey
GCWLCINIEOOJGU-UHFFFAOYSA-N- Molecular formula
- C13H17NO4S
- Average molar mass
- 283.35 g/mol
- Monoisotopic mass
- 283.0878292
Names & identifiers
- Preferred name
- 1-((4-Methylphenyl)sulfonyl)piperidine-2-carboxylic acid
- IUPAC
- 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylic acid
- English name
- 1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic acid
- Molecular formula
- C13H17NO4S
- Molecular weight
- 283.34
Names & synonyms
144630-15-91-[(4-methylphenyl)sulfonyl]piperidine-2-carboxylic acid1-((4-Methylphenyl)sulfonyl)piperidine-2-carboxylic acidRefChem:418712973-746-61-(Toluene-4-sulfonyl)-piperidine-2-carboxylic acid1-Tosylpiperidine-2-carboxylic acid1-(4-methylbenzenesulfonyl)piperidine-2-carboxylic acidMFCD007262961-(4-methylphenyl)sulfonylpiperidine-2-carboxylic acid2-Piperidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-N-tosyl pipecolic acid
Show more names
SBB012238SMR000277442BAS 00439762AF-399/34463036AKOS BBS-00001483TIMTEC-BB SBB012238N-Tosylpipecolic Acid
Oprea1_123911Oprea1_6172351-(toluene-4-sulfonyl)piperidine-2-carboxylic acidMLS000715925CHEMBL13350571-Tosylpiperidine-2-carboxylicacidHMS1621L15HMS2629H18
Database identifiers
- CAS
144630-15-9- PubChem CID
- 2928142
- ChEMBL
CHEMBL1335057- EC Number
- 973-746-6
- Nikkaji
- J1.171.106E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 101 · 101-102 °C
- Boiling point
- 477.6 · 477.6±55.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
- pka
- 3.46 · 3.46±0.20(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314-H290
- Precautionary statements
- 501 · P501-P261-P270-P234-P271-P264-P280-P390-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H314-H290
- Precautionary statements
- P501-P261-P270-P234-P271-P264-P280-P390-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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