Basic information
- CAS
1082482-07-2- Standard SMILES
CS(=O)(=O)N1CCCC(C=O)C1- InChIKey
JARYIIOEQZHVQU-UHFFFAOYSA-N- Molecular formula
- C7H13NO3S
- Average molar mass
- 191.25 g/mol
- Monoisotopic mass
- 191.06161445
Names & identifiers
- Preferred name
- 1-(Methylsulfonyl)piperidine-3-carbaldehyde
- IUPAC
- 1-methylsulfonylpiperidine-3-carbaldehyde
Names & synonyms
1082482-07-21-methanesulfonylpiperidine-3-carbaldehyde1-(methylsulfonyl)piperidine-3-carbaldehydeSCHEMBL1299600SCHEMBL4756923AKOS013158959DA-15791
Database identifiers
- CAS
1082482-07-2- PubChem CID
- 63845738
- EC Number
- 177-922-6
- Nikkaji
- J2.861.048C
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 254
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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