| CAS Number | 1617-93-2 |
| Catalog Number | AG001VT8(AGN-PC-000OQU) |
| Chemical Name | 5-(2-Phenylethyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C10H11N3O/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13) |
| InChI Key | HOUJXRMAYWZMHT-UHFFFAOYSA-N |
| MDL Number | MFCD09814682 |
| Molecular Formula | C10H11N3O |
| Molecular Weight | 189.2138 |
| SMILES | NC1OC(CCC2=CC=CC=C2)=NN=1 |
| Synonyms | 5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine,
1617-93-2,
1,3,4-Oxadiazol-2-amine, 5-(2-phenylethyl)-,
AC1Q533F,
CTK0E6435,
DTXSID00557286,
AOD100471,
ZINC19282479,
AKOS000154776,
MCULE-3206944883,
NE30369,
5-Phenethyl-1,3,4-oxadiazole-2-amine,
EN300-62045,
Z992716964,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.218g/mol |
| Monoisotopic Mass | 189.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number