1-(Cyclopropylsulfonyl)piperidine-3-carboxylic acid
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Basic information
- CAS
1203045-74-2- Standard SMILES
O=C(O)C1CCCN(S(=O)(=O)C2CC2)C1- InChIKey
VQMFTCLAUIDDFL-UHFFFAOYSA-N- Molecular formula
- C9H15NO4S
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.07217913
Names & identifiers
- Preferred name
- 1-(Cyclopropylsulfonyl)piperidine-3-carboxylic acid
- IUPAC
- 1-cyclopropylsulfonylpiperidine-3-carboxylic acid
- English name
- 1-(Cyclopropylsulfonyl)piperidine-3-carboxylic acid
- Molecular formula
- C9H15NO4S
- Molecular weight
- 233.28
Names & synonyms
1-(cyclopropylsulfonyl)piperidine-3-carboxylic acid1203045-74-21-cyclopropylsulfonylpiperidine-3-carboxylic acid1-(cyclopropanesulfonyl)piperidine-3-carboxylic acidF2190-0722SMSSF-0533790AKOS013878760AB93439VU0494925-1EN300-2370281-(cyclopropylsulfonyl)piperidine-3-carboxylicacidF496270
Show more names
3-Piperidinecarboxylic acid, 1-(cyclopropylsulfonyl)-
1-(cyclopropylsulfonyl)-3-piperidinecarboxylic acidA1-20242(R)-1-(Cyclopropylsulfonyl)piperidine-3-carboxylic acid(S)-1-(Cyclopropylsulfonyl)piperidine-3-carboxylic acid
Database identifiers
- CAS
1203045-74-2- PubChem CID
- 45496794
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 429.4 · 429.4±55.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 4.26 · 4.26±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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