Basic information
- CAS
1017381-49-5- Standard SMILES
CN(C)S(=O)(=O)N1CCC(C(=O)O)CC1- InChIKey
QGIZIQMGNYFPQB-UHFFFAOYSA-N- Molecular formula
- C8H16N2O4S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.08307817
Names & identifiers
- Preferred name
- 1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
- IUPAC
- 1-(dimethylsulfamoyl)piperidine-4-carboxylic acid
- English name
- 1-(dimethylsulfamoyl)piperidine-4-carboxylic acid
- Molecular formula
- C8H16N2O4S
- Molecular weight
- 236.29
Names & synonyms
1017381-49-51-(dimethylsulfamoyl)piperidine-4-carboxylic acidRefChem:427738981-344-71-[(Dimethylamino)sulfonyl]piperidine-4-carboxylic acidMFCD098927164-piperidinecarboxylic acid, 1-[(dimethylamino)sulfonyl]-SCHEMBL3285387ALBB-029668AKOS009210841LS-10558CS-0208165
Show more names
1-(dimethylsulfamoyl)isonipecotic acid1-(dimethylsulfamoyl)-4-piperidinecarboxylic acid
EN300-931900G299391-[(Dimethylamino)sulfonyl]piperidine-4-carboxylicacid
Database identifiers
- CAS
1017381-49-5- PubChem CID
- 21076144
- EC Number
- 981-344-7
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 415.5 · 415.5±34.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.20(Predicted)
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers2 total
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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