Pyrrolidine, 1-((2,5-dimethylphenoxy)acetyl)-
Basic information
- CAS
134937-61-4- Standard SMILES
Cc1ccc(C)c(OCC(=O)N2CCCC2)c1- InChIKey
ITRSVSRDFLFYTN-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Names & identifiers
- Preferred name
- Pyrrolidine, 1-((2,5-dimethylphenoxy)acetyl)-
- IUPAC
- 2-(2,5-dimethylphenoxy)-1-pyrrolidin-1-ylethanone
- English name
- Ethanone,2-(2,5-dimethylphenoxy)-1-(1-pyrrolidinyl)-
- Molecular formula
- C14H19NO2
- Molecular weight
- 233.31
Names & synonyms
Pyrrolidine, 1-((2,5-dimethylphenoxy)acetyl)-134937-61-41-((2,5-Dimethylphenoxy)acetyl)pyrrolidineDTXSID601591441-[(2,5-dimethylphenoxy)acetyl]pyrrolidineRefChem:377889DTXCID50816352-(2,5-dimethylphenoxy)-1-pyrrolidin-1-ylethanoneSTK048963AKOS000492466ST040115AN-329/41328702
Show more names
2-(2,5-Dimethylphenoxy)-1-(1-pyrrolidinyl)ethanoneEthanone,2-(2,5-dimethylphenoxy)-1-(1-pyrrolidinyl)-
2-(2,5-dimethylphenoxy)-1-pyrrolidinylethan-1-one2-(2,5-dimethylphenoxy)-1-(pyrrolidin-1-yl)ethanoneZ184682962-(2,5-Dimethylphenoxy)-1-(pyrrolidin-1-yl)ethan-1-one
Database identifiers
- CAS
134937-61-4- PubChem CID
- 695849
- DTXSID
DTXSID60159144
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 399.7 · 399.7±30.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- -0.83 · -0.83±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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