| CAS Number | 926242-86-6 |
| Catalog Number | AG019MU5 |
| Chemical Name | 2-(3-Aminophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one |
| IUPAC Name | 2-(3-aminophenoxy)-1-pyrrolidin-1-ylethanone |
| InChI | InChI=1S/C12H16N2O2/c13-10-4-3-5-11(8-10)16-9-12(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7,9,13H2 |
| InChI Key | UIQIQMDWGKDTMP-UHFFFAOYSA-N |
| MDL Number | MFCD09049724 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | NC1=CC(OCC(N2CCCC2)=O)=CC=C1 |
| Synonyms | 2-(3-aminophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one,
3-(2-oxo-2-pyrrolidin-1-ylethoxy)aniline,
926242-86-6,
AC1Q51R8,
CTK7D9184,
ZINC22146716,
AKOS000133249,
MCULE-5717429514,
NE14207,
EN300-37296,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number