| CAS Number | 258856-21-2 |
| Catalog Number | AG01ABRQ(AGN-PC-0NHLYR) |
| Chemical Name | 1-[(4-Aminophenyl)methyl]piperidine-2,6-dione |
| IUPAC Name | 1-[(4-aminophenyl)methyl]piperidine-2,6-dione |
| InChI | InChI=1S/C12H14N2O2/c13-10-6-4-9(5-7-10)8-14-11(15)2-1-3-12(14)16/h4-7H,1-3,8,13H2 |
| InChI Key | ANSFDUUZRVBGQW-UHFFFAOYSA-N |
| MDL Number | MFCD12172701 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | NC1=CC=C(CN2C(=O)CCCC2=O)C=C1 |
| Synonyms | 1-[(4-aminophenyl)methyl]piperidine-2,6-dione,
258856-21-2,
ZINC35326976,
AKOS009486524,
MCULE-1752171933,
Z1675167291,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number