| CAS Number | 500867-13-0 |
| Catalog Number | AG019UMJ |
| Chemical Name | 5-[(naphthalen-1-yl)methyl]-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C13H11N3O/c14-13-16-15-12(17-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,14,16) |
| InChI Key | MHVBKEOAWZXBES-UHFFFAOYSA-N |
| MDL Number | MFCD02671875 |
| Molecular Formula | C13H11N3O |
| Molecular Weight | 225.2459 |
| NSC Number | 614444 |
| SMILES | NC1OC(CC2=C3C(C=CC=C3)=CC=C2)=NN=1 |
| Synonyms | 5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-amine,
500867-13-0,
5-[(naphthalen-1-yl)methyl]-1,3,4-oxadiazol-2-amine,
NSC614444,
AC1Q4XEU,
AC1L79DR,
CTK7E1473,
AC1Q5331,
ZINC8655124,
AOD100705,
AKOS000153154,
MCULE-8670175635,
NE12124,
NSC-614444,
EN300-42142,
Z426041534,
CID356893,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.251g/mol |
| Monoisotopic Mass | 225.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number