| CAS Number | 1188265-89-5 |
| Catalog Number | AG00HESG |
| Chemical Name | 2-(2-Chlorophenyl)-2-pyrrolidinylethylamine DiHCl |
| IUPAC Name | 2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine;dihydrochloride |
| InChI | InChI=1S/C12H17ClN2.2ClH/c13-11-6-2-1-5-10(11)12(9-14)15-7-3-4-8-15;;/h1-2,5-6,12H,3-4,7-9,14H2;2*1H |
| InChI Key | IEZKYFVRLOODFS-UHFFFAOYSA-N |
| MDL Number | MFCD08445577 |
| Molecular Formula | C12H19Cl3N2 |
| Molecular Weight | 297.6517 |
| SMILES | Cl.Cl.NCC(N1CCCC1)C1=CC=CC=C1Cl |
| Synonyms | 2-(2-CHLOROPHENYL)-2-PYRROLIDINYLETHYLAMINE 2HCL,
1188265-89-5,
CTK7E2927,
AR3494,
AS-45624,
X-1099,
2-(2-Chlorophenyl)-2-pyrrolidinylethylamine DiHCl,
2-(2-chlorophenyl)-2-pyrrolidinylethylamine dihydrochloride,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.648g/mol |
| Monoisotopic Mass | 296.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number