| CAS Number | 1153893-89-0 |
| Catalog Number | AG01AFK3(AGN-PC-0WO3J5) |
| Chemical Name | 2-[(1-Methylpiperidin-4-yl)amino]propan-1-ol |
| IUPAC Name | 2-[(1-methylpiperidin-4-yl)amino]propan-1-ol |
| InChI | InChI=1S/C9H20N2O/c1-8(7-12)10-9-3-5-11(2)6-4-9/h8-10,12H,3-7H2,1-2H3 |
| InChI Key | KJXCUZCROJYXOO-UHFFFAOYSA-N |
| MDL Number | MFCD12184474 |
| Molecular Formula | C9H20N2O |
| Molecular Weight | 172.2679 |
| SMILES | CC(NC1CCN(C)CC1)CO |
| Synonyms | 2-[(1-methylpiperidin-4-yl)amino]propan-1-ol,
1153893-89-0,
SCHEMBL16015435,
AKOS009540283,
NE49322,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.272g/mol |
| Monoisotopic Mass | 172.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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