| CAS Number | 1159976-33-6 |
| Catalog Number | AG00938T(AGN-PC-0WR1QI) |
| Chemical Name | 4-[(4-Amino-phenylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 4-[(4-aminoanilino)methyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-10-8-13(9-11-20)12-19-15-6-4-14(18)5-7-15/h4-7,13,19H,8-12,18H2,1-3H3 |
| InChI Key | JROBTSJMSGLWKV-UHFFFAOYSA-N |
| MDL Number | MFCD12026438 |
| Molecular Formula | C17H27N3O2 |
| Molecular Weight | 305.4152 |
| SMILES | O=C(N1CCC(CC1)CNc1ccc(cc1)N)OC(C)(C)C |
| Synonyms | 1159976-33-6,
4-[(4-amino-phenylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester,
4-[(4-Amino-phenylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester,
DTXSID70670759,
MFCD12026438,
ZINC36075393,
AKOS027385286,
OR307784,
T6179,
tert-Butyl 4-[(4-aminoanilino)methyl]piperidine-1-carboxylate,
4-[(4-Aminophenylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number