| CAS Number | 1803611-99-5 |
| Catalog Number | AG01B986 |
| Chemical Name | 2-[1-(propan-2-yl)piperidin-3-yl]acetic acid hydrochloride |
| IUPAC Name | 2-(1-propan-2-ylpiperidin-3-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C10H19NO2.ClH/c1-8(2)11-5-3-4-9(7-11)6-10(12)13;/h8-9H,3-7H2,1-2H3,(H,12,13);1H |
| InChI Key | GWOSULKFMXGEDX-UHFFFAOYSA-N |
| MDL Number | MFCD28348285 |
| Molecular Formula | C10H20ClNO2 |
| Molecular Weight | 221.7243 |
| SMILES | Cl.CC(N1CC(CC(O)=O)CCC1)C |
| Synonyms | 2-[1-(propan-2-yl)piperidin-3-yl]acetic acid hydrochloride,
1803611-99-5,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.725g/mol |
| Monoisotopic Mass | 221.118g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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