(2R)-1-(benzenesulfonyl)pyrrolidine-2-carboxylic acid
Basic information
- CAS
122213-80-3- Standard SMILES
O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccccc1- InChIKey
JUSWZYFYLXTMLJ-SNVBAGLBSA-N- Molecular formula
- C11H13NO4S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.05652907
Names & identifiers
- Preferred name
- (2R)-1-(benzenesulfonyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2R)-1-(benzenesulfonyl)pyrrolidine-2-carboxylic acid
- English name
- (2R)-1-(benzenesulfonyl)pyrrolidine-2-carboxylic acid
- Molecular formula
- C11H13NO4S
- Molecular weight
- 255.29
Names & synonyms
(2R)-1-(benzenesulfonyl)pyrrolidine-2-carboxylic acid122213-80-3RefChem:396816964-570-0Oprea1_156815(R)-N-BenzenesulfonylprolineSCHEMBL23519421EBC-12178AKOS017336173CS-0242330EN300-247572G55010
Show more names
(phenylsulfonyl)-D-prolineD-Proline, 1-(phenylsulfonyl)-
(2R)-1-(benzenesulfonyl)pyrrolidine-2-carboxylicacidZ1078502426
Database identifiers
- CAS
122213-80-3- PubChem CID
- 720848
- EC Number
- 964-570-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Melting point
- 81 · 81-83 °C
- Boiling point
- 462.4 · 462.4±55.0 °C(Predicted)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.20(Predicted)
- 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
Suppliers
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Related reactions
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Compound notes
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