| CAS Number | 145148-39-6 |
| Catalog Number | AG00B7DG(AGN-PC-0PWOQL) |
| Chemical Name | CP 99,994 (hydrochloride) |
| IUPAC Name | (2S,3S)-1-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride |
| InChI | InChI=1S/C19H24N2O.2ClH/c1-22-18-12-6-5-10-16(18)14-21-13-7-11-17(20)19(21)15-8-3-2-4-9-15;;/h2-6,8-10,12,17,19H,7,11,13-14,20H2,1H3;2*1H/t17-,19-;;/m0../s1 |
| InChI Key | STUCSMJJXNCIOE-FFUVTKDNSA-N |
| MDL Number | MFCD18782630 |
| Molecular Formula | C19H26Cl2N2O |
| Molecular Weight | 369.3285 |
| SMILES | COC1=C(C=CC=C1)CN[C@H]2CCCN[C@H]2C3=CC=CC=C3.Cl.Cl |
| Synonyms | 145148-39-6,
CP 99994 dihydrochloride,
3-Piperidinamine,N-[(2-methoxyphenyl)methyl]-2-phenyl-,dihydrochloride,(2S,3S)-,
B5422,
STUCSMJJXNCIOE-FFUVTKDNSA-N,
3-Piperidinamine, N-[(2-methoxyphenyl)methyl]-2-phenyl-, (Hydrochloride) (1:2), (2S,3S)-,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.33g/mol |
| Monoisotopic Mass | 368.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number