| CAS Number | 416852-38-5 |
| Catalog Number | AG01BBSF |
| Chemical Name | TERT-BUTYL 4-FORMYL-2-METHYLPIPERIDINE-1-CARBOXYLATE |
| IUPAC Name | tert-butyl 4-formyl-2-methylpiperidine-1-carboxylate |
| InChI | InChI=1S/C12H21NO3/c1-9-7-10(8-14)5-6-13(9)11(15)16-12(2,3)4/h8-10H,5-7H2,1-4H3 |
| InChI Key | LTVKOAXXMXYLCK-UHFFFAOYSA-N |
| MDL Number | MFCD22666107 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | CC1N(C(OC(C)(C)C)=O)CCC(C=O)C1 |
| Synonyms | tert-butyl 4-formyl-2-methylpiperidine-1-carboxylate,
416852-38-5,
SCHEMBL5762755,
CS-0078574,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number