| CAS Number | 2137581-41-8 |
| Catalog Number | AG01EIL1 |
| Chemical Name | tert-butyl N-[4-(N-hydroxycarbamimidoyl)cyclohexyl]carbamate |
| IUPAC Name | tert-butyl N-[4-[(Z)-N'-hydroxycarbamimidoyl]cyclohexyl]carbamate |
| InChI | InChI=1S/C12H23N3O3/c1-12(2,3)18-11(16)14-9-6-4-8(5-7-9)10(13)15-17/h8-9,17H,4-7H2,1-3H3,(H2,13,15)(H,14,16) |
| InChI Key | YLQNRCQJGRQRBB-UHFFFAOYSA-N |
| MDL Number | MFCD31559185 |
| Molecular Formula | C12H23N3O3 |
| Molecular Weight | 257.3293 |
| SMILES | CC(OC(NC1CCC(C(NO)=N)CC1)=O)(C)C |
| Synonyms | tert-butyl N-[4-(N-hydroxycarbamimidoyl)cyclohexyl]carbamate,
2137581-41-8,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 257.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.334g/mol |
| Monoisotopic Mass | 257.174g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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