Basic information
- CAS
112283-41-7- Standard SMILES
O=C(COc1ccccc1)N1CCCC1- InChIKey
FYNNGWZCHCSIQA-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 2-Phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
- IUPAC
- 2-phenoxy-1-pyrrolidin-1-ylethanone
Names & synonyms
2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-oneRefChem:477927867-901-6112283-41-7Pyrrolidine, 1-(phenoxyacetyl)-1-(phenoxyacetyl)pyrrolidine2-oxo-2-(1-pyrrolidinyl)ethyl phenyl ether2-phenoxy-1-pyrrolidin-1-ylethanoneVVYMLS000719235SCHEMBL3159548SCHEMBL3160001
Show more names
CHEMBL1351238DTXSID20358691HMS2712H16MEA283412-phenoxy-1-pyrrolidinylethan-1-oneSTK416882AKOS0034109512-phenoxy-1-(pyrrolidin-1-yl)ethanone
Database identifiers
- CAS
112283-41-7- PubChem CID
- 910270
- DTXSID
DTXSID20358691- ChEMBL
CHEMBL1351238- EC Number
- 867-901-6
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Experimental & physicochemical properties
Solubility26.7 [ug/mL] (The mean of the results at pH 7.4)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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