| CAS Number | 1353980-19-4 |
| Catalog Number | AG009I0O(AGN-PC-0H0Y1B) |
| Chemical Name | 1-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]methanamine hydrochloride |
| IUPAC Name | [1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C12H20N4O.ClH/c1-2-17-12-7-11(14-9-15-12)16-5-3-10(8-13)4-6-16;/h7,9-10H,2-6,8,13H2,1H3;1H |
| InChI Key | WHULWESJBZBPNN-UHFFFAOYSA-N |
| MDL Number | MFCD21098574 |
| Molecular Formula | C12H21ClN4O |
| Molecular Weight | 272.7743 |
| SMILES | Cl.CCOc1cc(ncn1)N1CCC(CN)CC1 |
| Synonyms | 1353980-19-4,
(1-(6-Ethoxypyrimidin-4-yl)piperidin-4-yl)methanamine hydrochloride,
C-[1-(6-Ethoxy-pyrimidin-4-yl)-piperidin-4-yl]-methylamine hydrochloride,
AKOS024463945,
AK160143,
AX8293346,
CS-0061662,
ST24033469,
[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]methanamine;hydrochloride,
C-[1-(6-Ethoxypyrimidin-4-yl)piperidin-4-yl]methylamine hydrochloride,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.777g/mol |
| Monoisotopic Mass | 272.14g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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