| CAS Number | 1189106-71-5 |
| Catalog Number | AG0080S0(AGN-PC-0WR1SD) |
| Chemical Name | 4-(4-Amino-benzylamino)-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 4-[(4-aminophenyl)methylamino]piperidine-1-carboxylate |
| InChI | InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-10-8-15(9-11-20)19-12-13-4-6-14(18)7-5-13/h4-7,15,19H,8-12,18H2,1-3H3 |
| InChI Key | HBKSHEPHTFBUGC-UHFFFAOYSA-N |
| MDL Number | MFCD12674812 |
| Molecular Formula | C17H27N3O2 |
| Molecular Weight | 305.4152 |
| SMILES | O=C(N1CCC(CC1)NCc1ccc(cc1)N)OC(C)(C)C |
| Synonyms | 1189106-71-5,
4-(4-amino-benzylamino)-piperidine-1-carboxylic acid tert-butyl ester,
4-(4-amino-benzylamino)-piperidine-1-carboxylic acid tert-butyl ester,
CTK8E4569,
DTXSID70670754,
MFCD12674812,
ZINC36075383,
OR307774,
RT-016810,
T6251,
tert-Butyl 4-{[(4-aminophenyl)methyl]amino}piperidine-1-carboxylate,
4-(4-Aminobenzylamino)piperidine-1-carboxylic acid tert-butyl ester,
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| 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 | 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number