| CAS Number | 1692710-67-0 |
| Catalog Number | AG01BGQF |
| Chemical Name | tert-butyl N-[3-hydroxy-2-(2-methylpropyl)propyl]carbamate |
| IUPAC Name | tert-butyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate |
| InChI | InChI=1S/C12H25NO3/c1-9(2)6-10(8-14)7-13-11(15)16-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15) |
| InChI Key | WCYJANVXBIHYCS-UHFFFAOYSA-N |
| MDL Number | MFCD18433206 |
| Molecular Formula | C12H25NO3 |
| Molecular Weight | 231.3318 |
| SMILES | CC(CC(CNC(OC(C)(C)C)=O)CO)C |
| Synonyms | tert-butyl N-[3-hydroxy-2-(2-methylpropyl)propyl]carbamate,
1692710-67-0,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.183444g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.33g/mol |
| Monoisotopic Mass | 231.183444g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 58.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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