2-(1-Tosylpiperidin-4-yl)acetic acid
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Basic information
- CAS
1082293-46-6- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCC(CC(=O)O)CC2)cc1- InChIKey
YAYAFLZEHPABCA-UHFFFAOYSA-N- Molecular formula
- C14H19NO4S
- Average molar mass
- 297.37 g/mol
- Monoisotopic mass
- 297.10347926
Names & identifiers
- Preferred name
- 2-(1-Tosylpiperidin-4-yl)acetic acid
- IUPAC
- 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetic acid
- English name
- {1-[(4-Methylphenyl)sulfonyl]piperidin-4-yl}acetic acid
- Molecular formula
- C14H19NO4S
- Molecular weight
- 297.37
Names & synonyms
1082293-46-62-(1-Tosylpiperidin-4-yl)acetic acid{1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}acetic acid(1-[(4-METHYLPHENYL)SULFONYL]PIPERIDIN-4-YL)ACETIC ACIDMFCD115856092-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]acetic acid2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetic acid4-piperidineacetic acid, 1-[(4-methylphenyl)sulfonyl]-1-Tosylpiperidine-4-acetic AcidALBB-0166362-(1-Tosylpiperidin-4-yl)aceticacidAKOS015937721
Show more names
LS-05226SY274722CS-0153029E766202-[1-(p-tolylsulfonyl)-4-piperidyl]acetic acid
Database identifiers
- CAS
1082293-46-6- PubChem CID
- 28280425
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 492.4 · 492.4±47.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.66 · 4.66±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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