| CAS Number | 2044703-04-8 |
| Catalog Number | AG01DXDY(AGN-PC-0WNGHQ) |
| Chemical Name | 4-Amino-1-Benzylpyrrolidin-2-One Dihydrochloride |
| IUPAC Name | 4-amino-1-benzylpyrrolidin-2-one;dihydrochloride |
| InChI | InChI=1S/C11H14N2O.2ClH/c12-10-6-11(14)13(8-10)7-9-4-2-1-3-5-9;;/h1-5,10H,6-8,12H2;2*1H |
| InChI Key | WDLMCJLUPOMUSD-UHFFFAOYSA-N |
| MDL Number | MFCD30536246 |
| Molecular Formula | C11H16Cl2N2O |
| Molecular Weight | 263.1635 |
| SMILES | NC1CN(C(=O)C1)Cc1ccccc1.Cl.Cl |
| Synonyms | 4-Amino-1-benzylpyrrolidin-2-one dihydrochloride,
2044703-04-8,
KS-00000TZ4,
AK554482,
DS-19626,
CS-0044422,
N/A,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.162g/mol |
| Monoisotopic Mass | 262.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number