| CAS Number | 955369-50-3 |
| Catalog Number | AG01BXV5 |
| Chemical Name | tert-Butyl 4-(4-amino-2-methylphenyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(4-amino-2-methylphenyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H26N2O2/c1-12-11-14(18)5-6-15(12)13-7-9-19(10-8-13)16(20)21-17(2,3)4/h5-6,11,13H,7-10,18H2,1-4H3 |
| InChI Key | OLCJRLSBFJRSMZ-UHFFFAOYSA-N |
| MDL Number | MFCD24470542 |
| Molecular Formula | C17H26N2O2 |
| Molecular Weight | 290.4005 |
| SMILES | CC1=C(C2CCN(C(OC(C)(C)C)=O)CC2)C=CC(N)=C1 |
| Synonyms | tert-butyl 4-(4-amino-2-methylphenyl)piperidine-1-carboxylate,
955369-50-3,
SCHEMBL1159547,
OLCJRLSBFJRSMZ-UHFFFAOYSA-N,
AKOS034035496,
ZINC115361038,
A1-10763,
Z2798585316,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.407g/mol |
| Monoisotopic Mass | 290.199g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number