Basic information
- CAS
1171069-02-5- Standard SMILES
Cc1nc(S(=O)(=O)N2CCC(C(=O)O)CC2)cn1C- InChIKey
GLQFVIHELXKZGG-UHFFFAOYSA-N- Molecular formula
- C11H17N3O4S
- Average molar mass
- 287.34 g/mol
- Monoisotopic mass
- 287.09397721
Names & identifiers
- Preferred name
- 1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)piperidine-4-carboxylic acid
- IUPAC
- 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxylic acid
- English name
- 4-Piperidinecarboxylic acid, 1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-
- Molecular formula
- C11H17N3O4S
- Molecular weight
- 287.34
Names & synonyms
1171069-02-51-(1,2-dimethyl-1H-imidazole-4-sulfonyl)piperidine-4-carboxylic acid1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxylic acid1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxylic acidWWB06902AKOS004911645EN300-58951G37424Z8879393841-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperidine-4-carboxylicacid4-Piperidinecarboxylic acid, 1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-
Database identifiers
- CAS
1171069-02-5- PubChem CID
- 44122016
- EC Number
- 156-542-4
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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