| CAS Number | 1016764-91-2 |
| Catalog Number | AG01AGQF(AGN-PC-0WO48I) |
| Chemical Name | 5-(2-Phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C11H13N3O/c1-11(2,8-6-4-3-5-7-8)9-13-14-10(12)15-9/h3-7H,1-2H3,(H2,12,14) |
| InChI Key | ISEONSGTBRHUOO-UHFFFAOYSA-N |
| MDL Number | MFCD09811434 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | CC(C1=CC=CC=C1)(C1OC(N)=NN=1)C |
| Synonyms | 5-(2-PHENYLPROPAN-2-YL)-1,3,4-OXADIAZOL-2-AMINE,
1016764-91-2,
5-(1-methyl-1-phenylethyl)-1,3,4-oxadiazol-2-amine,
AC1Q1NIU,
CTK7E1426,
ZINC19266407,
AKOS000153768,
MCULE-5105954813,
NE23376,
EN300-72559,
Z1266854833,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.245g/mol |
| Monoisotopic Mass | 203.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number