| CAS Number | 1159976-36-9 |
| Catalog Number | AG000HEU(AGN-PC-098VQR) |
| Chemical Name | 2-[(4-Amino-phenylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 2-[(4-aminoanilino)methyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-11-5-4-6-15(20)12-19-14-9-7-13(18)8-10-14/h7-10,15,19H,4-6,11-12,18H2,1-3H3 |
| InChI Key | ZBHPUQXSHBKZJM-UHFFFAOYSA-N |
| MDL Number | MFCD12026441 |
| Molecular Formula | C17H27N3O2 |
| Molecular Weight | 305.4152 |
| SMILES | Nc1ccc(cc1)NCC1CCCCN1C(=O)OC(C)(C)C |
| Synonyms | 1159976-36-9,
2-[(4-amino-phenylamino)-methyl]- piperidine-1-carboxylic acid tert-butyl ester,
tert-butyl 2-((4-aminophenylamino)methyl)piperidine-1-carboxylate,
SCHEMBL16333400,
CTK8E3592,
DTXSID00670762,
MFCD12026441,
DA-47706,
OR307787,
RT-016684,
FT-0733514,
T6182,
tert-Butyl 2-[(4-aminoanilino)methyl]piperidine-1-carboxylate,
1-Piperidinecarboxylic acid, 2-[[(4-aminophenyl)amino]methyl]-, 1,1-dimethylethyl ester,
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| 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 | 3 |
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Certificate of Analysis
Lot Number