| CAS Number | 952480-26-1 |
| Catalog Number | AG006OIW(AGN-PC-0WB3MX) |
| Chemical Name | (3S,4R)-3-Benzyl-1-methylpiperidin-4-amine |
| IUPAC Name | (3S,4R)-3-benzyl-1-methylpiperidin-4-amine |
| InChI | InChI=1S/C13H20N2/c1-15-8-7-13(14)12(10-15)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3/t12-,13+/m0/s1 |
| InChI Key | DPPPALZSPFEMNV-QWHCGFSZSA-N |
| MDL Number | MFCD09802316 |
| Molecular Formula | C13H20N2 |
| Molecular Weight | 204.3113 |
| SMILES | [C@@H]1(CC2C=CC=CC=2)[C@H](N)CCN(C)C1 |
| Synonyms | 952480-26-1,
(3S,4R)-3-BENZYL-1-METHYLPIPERIDIN-4-AMINE,
rac-(3S,4R)-3-benzyl-1-methylpiperidin-4-amine,
CTK5H7592,
DTXSID80650901,
MFCD09802316,
ZINC19090377,
AKOS006339514,
AJ-71403,
(3S,4R)-3-Benzyl-1-methyl-4-piperidinamine,
Y-5527,
(3S,4R)-3-Benzyl-1-methyl-4-piperidinamine, AldrichCPR,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.317g/mol |
| Monoisotopic Mass | 204.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^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