| CAS Number | 872188-99-3 |
| Catalog Number | AG019V42(AGN-PC-0WO7TF) |
| Chemical Name | 4-Propyl-1,2,5-oxadiazol-3-amine |
| IUPAC Name | 4-propyl-1,2,5-oxadiazol-3-amine |
| InChI | InChI=1S/C5H9N3O/c1-2-3-4-5(6)8-9-7-4/h2-3H2,1H3,(H2,6,8) |
| InChI Key | JYMNMNWIWJSHDM-UHFFFAOYSA-N |
| MDL Number | MFCD11184681 |
| Molecular Formula | C5H9N3O |
| Molecular Weight | 127.1445 |
| SMILES | CCCC1C(N)=NON=1 |
| Synonyms | 4-propyl-1,2,5-oxadiazol-3-amine,
872188-99-3,
AC1Q2V4H,
CTK6D5115,
ZINC20370976,
AKOS008116027,
MCULE-1868544609,
NE55923,
SC-34187,
EN300-43668,
AB01007705-01,
Z449369008,
|
| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.147g/mol |
| Monoisotopic Mass | 127.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number