| CAS Number | 1010100-22-7 |
| Catalog Number | AG01DWZE |
| Chemical Name | Thalidomide-5-CH2-NH2 HCl |
| IUPAC Name | 5-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione |
| InChI | InChI=1S/C14H13N3O4/c15-6-7-1-2-8-9(5-7)14(21)17(13(8)20)10-3-4-11(18)16-12(10)19/h1-2,5,10H,3-4,6,15H2,(H,16,18,19) |
| InChI Key | XGOSNDRWHKMZIR-UHFFFAOYSA-N |
| MDL Number | MFCD30188079 |
| Molecular Formula | C14H14ClN3O4 |
| Molecular Weight | 323.7317 |
| SMILES | Cl.NCC=1C=C2C(N(C(C2=CC1)=O)C1C(NC(CC1)=O)=O)=O |
| Synonyms | 5-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione,
1010100-22-7,
SCHEMBL4450513,
|
| Complexity | 518 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.275g/mol |
| Monoisotopic Mass | 287.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number