| CAS Number | 1181458-05-8 |
| Catalog Number | AG019UYY(AGN-PC-0WBQ1W) |
| Chemical Name | [3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methanamine dihydrochloride |
| IUPAC Name | (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C8H8N4O.2ClH/c9-5-7-11-8(12-13-7)6-1-3-10-4-2-6;;/h1-4H,5,9H2;2*1H |
| InChI Key | UBVNMUUCUBOZQO-UHFFFAOYSA-N |
| MDL Number | MFCD11858038 |
| Molecular Formula | C8H10Cl2N4O |
| Molecular Weight | 249.0972 |
| SMILES | Cl.Cl.NCC1ON=C(C2=CC=NC=C2)N=1 |
| Synonyms | [3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methanamine dihydrochloride,
1181458-05-8,
(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)methanamine dihydrochloride,
AC1Q3AU9,
AKOS026676808,
MCULE-6311823108,
NE15326,
EN300-43255,
SR-00000001685,
SR-00000001685-1,
F2185-0039,
Z1270207911,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.095g/mol |
| Monoisotopic Mass | 248.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number