| CAS Number | 1502816-23-0 |
| Catalog Number | AG00ABST |
| Chemical Name | MS049 |
| IUPAC Name | N-methyl-2-(4-phenylmethoxypiperidin-1-yl)ethanamine |
| InChI | InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3 |
| InChI Key | HBOJWAYLSJLULG-UHFFFAOYSA-N |
| MDL Number | MFCD30489737 |
| Molecular Formula | C15H24N2O |
| Molecular Weight | 248.3639 |
| SMILES | C(C1=CC=CC=C1)OC1CCN(CC1)CCNC |
| Synonyms | MS049,
1502816-23-0,
CHEMBL3961701,
GTPL9529,
BCP20715,
EX-A1395,
BDBM50194756,
AKOS032944955,
ZINC200482804,
CS-5861,
compound 17 [PMID: 27584694],
HY-100360,
N-methyl-2-(4-phenylmethoxypiperidin-1-yl)ethanamine,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.37g/mol |
| Monoisotopic Mass | 248.189g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number