| CAS Number | 1189105-72-3 |
| Catalog Number | AG0080SJ(AGN-PC-098VQK) |
| Chemical Name | 3-(4-Aminobenzylamino)-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3-[(4-aminophenyl)methylamino]piperidine-1-carboxylate |
| InChI | InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-10-4-5-15(12-20)19-11-13-6-8-14(18)9-7-13/h6-9,15,19H,4-5,10-12,18H2,1-3H3 |
| InChI Key | WHZAGPRKWAFGKU-UHFFFAOYSA-N |
| MDL Number | MFCD12674814 |
| Molecular Formula | C17H27N3O2 |
| Molecular Weight | 305.4152 |
| SMILES | Nc1ccc(cc1)CNC1CCCN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1189105-72-3,
3-(4-aminobenzylamino)-piperidine-1-carboxylic acid tert-butyl ester,
3-(4-aminobenzylamino)-piperidine-1-carboxylic acid tert-butyl ester,
CTK8E4189,
DTXSID90670756,
MFCD12674814,
OR307776,
RT-016718,
T6235,
tert-Butyl 3-{[(4-aminophenyl)methyl]amino}piperidine-1-carboxylate,
3-(4-aminobenzylamino)piperidine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 359 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.422g/mol |
| Monoisotopic Mass | 305.21g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number