| CAS Number | 1235666-65-5 |
| Catalog Number | AG01FMET(AGN-PC-0WCOCS) |
| Chemical Name | [3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine hydrochloride |
| IUPAC Name | [3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C10H11N3O2.ClH/c11-6-10-12-9(13-15-10)7-14-8-4-2-1-3-5-8;/h1-5H,6-7,11H2;1H |
| InChI Key | IHIBVESPOGTALH-UHFFFAOYSA-N |
| MDL Number | MFCD16606055 |
| Molecular Formula | C10H12ClN3O2 |
| Molecular Weight | 241.6742 |
| SMILES | NCc1onc(n1)COc1ccccc1.Cl |
| Synonyms | (3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl)methanamine hydrochloride,
1235666-65-5,
MFCD16606055,
AKOS026677179,
MCULE-7739186508,
F2185-0125,
1-[3-(Phenoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine (HCl),
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.675g/mol |
| Monoisotopic Mass | 241.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number