| CAS Number | 1415109-59-9 |
| Catalog Number | AG01BJ26 |
| Chemical Name | Tert-Butyl 4-(4-(Aminomethyl)Benzyl)Piperazine-1-Carboxylate |
| IUPAC Name | tert-butyl 4-[[4-(aminomethyl)phenyl]methyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-10-8-19(9-11-20)13-15-6-4-14(12-18)5-7-15/h4-7H,8-13,18H2,1-3H3 |
| InChI Key | FOMCSHUOASRGHK-UHFFFAOYSA-N |
| MDL Number | MFCD30751495 |
| Molecular Formula | C17H27N3O2 |
| Molecular Weight | 305.4152 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)CN |
| Synonyms | tert-butyl 4-(4-(aminomethyl)benzyl)piperazine-1-carboxylate,
1415109-59-9,
ZINC222600855,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.422g/mol |
| Monoisotopic Mass | 305.21g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number