| CAS Number | 1042654-51-2 |
| Catalog Number | AG018MVZ(AGN-PC-0WO9G6) |
| Chemical Name | 5-(Cyclohexylmethyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C9H15N3O/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12) |
| InChI Key | PIOZWIHCOPGZAV-UHFFFAOYSA-N |
| MDL Number | MFCD11170352 |
| Molecular Formula | C9H15N3O |
| Molecular Weight | 181.2349 |
| SMILES | NC1OC(CC2CCCCC2)=NN=1 |
| Synonyms | 5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine,
1042654-51-2,
AC1Q533D,
DTXSID70651624,
AOD100595,
ZINC20252033,
AKOS009218366,
NE24648,
EN300-66537,
F2158-1516,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.239g/mol |
| Monoisotopic Mass | 181.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number