| CAS Number | 35604-35-4 |
| Catalog Number | AG01BFWD(AGN-PC-02R8BP) |
| Chemical Name | 5-Benzyl-1,2,4-oxadiazol-3-amine |
| IUPAC Name | 5-benzyl-1,2,4-oxadiazol-3-amine |
| InChI | InChI=1S/C9H9N3O/c10-9-11-8(13-12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12) |
| InChI Key | IYGOAQQRJOCCBB-UHFFFAOYSA-N |
| MDL Number | MFCD00207921 |
| Molecular Formula | C9H9N3O |
| Molecular Weight | 175.1873 |
| SMILES | NC1N=C(CC2=CC=CC=C2)ON=1 |
| Synonyms | 5-BENZYL-1,2,4-OXADIAZOL-3-AMINE,
35604-35-4,
1,2,4-Oxadiazol-3-amine, 5-(phenylmethyl)-,
SCHEMBL433831,
IYGOAQQRJOCCBB-UHFFFAOYSA-N,
ZINC59750246,
5-benzyl[1.2.4]oxadiazol-3-ylamine,
AKOS013001373,
NE24168,
5-benzyl-[1,2,4]oxadiazol-3-ylamine,
SC-34053,
FT-0722199,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.191g/mol |
| Monoisotopic Mass | 175.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number