| CAS Number | 1189105-85-8 |
| Catalog Number | AG00755I(AGN-PC-0WR1OB) |
| Chemical Name | 4-[(4-Amino-benzylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 4-[[(4-aminophenyl)methylamino]methyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-10-8-15(9-11-21)13-20-12-14-4-6-16(19)7-5-14/h4-7,15,20H,8-13,19H2,1-3H3 |
| InChI Key | XTZONVNYXVXRGW-UHFFFAOYSA-N |
| MDL Number | MFCD12674813 |
| Molecular Formula | C18H29N3O2 |
| Molecular Weight | 319.4418 |
| SMILES | O=C(N1CCC(CC1)CNCc1ccc(cc1)N)OC(C)(C)C |
| Synonyms | 1189105-85-8,
4-[(4-amino-benzylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester,
4-[(4-amino-benzylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester,
CTK8E4705,
DTXSID30670755,
MFCD12674813,
ZINC36075384,
AKOS027385285,
OR307775,
RT-017043,
T6238,
tert-Butyl 4-({[(4-aminophenyl)methyl]amino}methyl)piperidine-1-carboxylate,
4-[(4-Aminobenzylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 365 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number