| CAS Number | 1159976-34-7 |
| Catalog Number | AG000HEW(AGN-PC-098VQP) |
| Chemical Name | 3-(4-Amino-phenylamino)-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3-(4-aminoanilino)piperidine-1-carboxylate |
| InChI | InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-4-5-14(11-19)18-13-8-6-12(17)7-9-13/h6-9,14,18H,4-5,10-11,17H2,1-3H3 |
| InChI Key | MYQLNRTXRVGABL-UHFFFAOYSA-N |
| MDL Number | MFCD12026439 |
| Molecular Formula | C16H25N3O2 |
| Molecular Weight | 291.3886 |
| SMILES | Nc1ccc(cc1)NC1CCCN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1159976-34-7,
3-(4-amino-phenylamino)- piperidine-1-carboxylic acid tert-butyl ester,
tert-butyl 3-(4-aminophenylamino)piperidine-1-carboxylate,
3-(4-Amino-phenylamino)-piperidine-1-carboxylic acid tert-butyl ester,
SCHEMBL16333029,
CTK8E4192,
DTXSID80670760,
MFCD12026439,
DA-47708,
OR307785,
RT-016717,
FT-0747126,
T6180,
tert-Butyl 3-(4-aminoanilino)piperidine-1-carboxylate,
1-Piperidinecarboxylic acid, 3-[(4-aminophenyl)amino]-, 1,1-dimethylethyl ester,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.395g/mol |
| Monoisotopic Mass | 291.195g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number