| CAS Number | 1175018-74-2 |
| Catalog Number | AG01CBKY(AGN-PC-0WP1DC) |
| Chemical Name | N-Despropargyl N-(1-Chloroprop-1-ene) Rasagiline |
| IUPAC Name | (1R)-N-[(Z)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-1-amine |
| InChI | InChI=1S/C12H14ClN/c13-8-3-9-14-12-7-6-10-4-1-2-5-11(10)12/h1-5,8,12,14H,6-7,9H2/b8-3-/t12-/m1/s1 |
| InChI Key | MLLXGVLJGYOTNZ-CPWLGJMPSA-N |
| Molecular Formula | C12H14ClN |
| Molecular Weight | 207.6993 |
| SMILES | Cl/C=CCN[C@@H]1CCC2=CC=CC=C21 |
| Synonyms | SCHEMBL3895381,
(R,Z)-N-(3-Chloroallyl)-2,3-dihydro-1H-inden-1-amine,
1175018-74-2,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 207.081477g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.7g/mol |
| Monoisotopic Mass | 207.081477g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number