| CAS Number | 220635-18-7 |
| Catalog Number | AG019UMK |
| Chemical Name | 5-[(naphthalen-2-yl)methyl]-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C13H11N3O/c14-13-16-15-12(17-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H2,14,16) |
| InChI Key | NXDLPMQTRAVDLA-UHFFFAOYSA-N |
| MDL Number | MFCD09803468 |
| Molecular Formula | C13H11N3O |
| Molecular Weight | 225.2459 |
| SMILES | NC1OC(CC2=CC3=C(C=CC=C3)C=C2)=NN=1 |
| Synonyms | 5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-amine,
220635-18-7,
5-[(naphthalen-2-yl)methyl]-1,3,4-oxadiazol-2-amine,
Z426041536,
CTK7E1471,
AC1Q5338,
ZINC19390697,
AKOS000158342,
MCULE-9307340278,
NE14465,
EN300-42143,
AB01002290-01,
|
| 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 |
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Certificate of Analysis
Lot Number