| CAS Number | 1039837-72-3 |
| Catalog Number | AG007WV4(AGN-PC-0WB3MK) |
| Chemical Name | 1,2,4-Oxadiazole-5-methanamine, 3-cyclohexyl- |
| IUPAC Name | (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine |
| InChI | InChI=1S/C9H15N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h7H,1-6,10H2 |
| InChI Key | WQLPDVOLWMKLQO-UHFFFAOYSA-N |
| MDL Number | MFCD12027095 |
| Molecular Formula | C9H15N3O |
| Molecular Weight | 181.2349 |
| SMILES | NCC1ON=C(C2CCCCC2)N=1 |
| Synonyms | 1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine,
1039837-72-3,
CTK4A2568,
DTXSID30649249,
ALBB-005666,
MFCD11125624,
STK503533,
ZINC21817890,
AKOS005171493,
AJ-78629,
Y-6664,
(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine,
(3-Cyclohexyl-1,2,4-oxadiazol-5-yl)methylaminehydrochloride,
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| 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 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number