| CAS Number | 1189107-00-3 |
| Catalog Number | AG00754Y(AGN-PC-098VQM) |
| Chemical Name | 3-[(4-Amino-benzylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3-[[(4-aminophenyl)methylamino]methyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-10-4-5-15(13-21)12-20-11-14-6-8-16(19)9-7-14/h6-9,15,20H,4-5,10-13,19H2,1-3H3 |
| InChI Key | GUAMKRWLEBSKSY-UHFFFAOYSA-N |
| MDL Number | MFCD12674815 |
| Molecular Formula | C18H29N3O2 |
| Molecular Weight | 319.4418 |
| SMILES | Nc1ccc(cc1)CNCC1CCCN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1189107-00-3,
3-[(4-Amino-benzylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester,
CTK8E4329,
DTXSID50670757,
MFCD12674815,
OR307777,
RT-016762,
T6256,
tert-Butyl 3-({[(4-aminophenyl)methyl]amino}methyl)piperidine-1-carboxylate,
3-[(4-Aminobenzylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.449g/mol |
| Monoisotopic Mass | 319.226g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number