| CAS Number | 1082925-46-9 |
| Catalog Number | AG01AFT3 |
| Chemical Name | 1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine |
| IUPAC Name | 1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine |
| InChI | InChI=1S/C11H13N3O2/c1-8(12)11-13-10(14-16-11)7-15-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3 |
| InChI Key | LBBDBBPFQLJCLK-UHFFFAOYSA-N |
| MDL Number | MFCD11614310 |
| Molecular Formula | C11H13N3O2 |
| Molecular Weight | 219.2398 |
| SMILES | CC(C1ON=C(COC2=CC=CC=C2)N=1)N |
| Synonyms | 1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine,
1082925-46-9,
AKOS012007748,
MCULE-5985593445,
NE51996,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.244g/mol |
| Monoisotopic Mass | 219.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number