| CAS Number | 1193390-49-6 |
| Catalog Number | AG019WNR |
| Chemical Name | 1-[3-(Aminomethyl)phenyl]piperidin-2-one hydrochloride |
| IUPAC Name | 1-[3-(aminomethyl)phenyl]piperidin-2-one;hydrochloride |
| InChI | InChI=1S/C12H16N2O.ClH/c13-9-10-4-3-5-11(8-10)14-7-2-1-6-12(14)15;/h3-5,8H,1-2,6-7,9,13H2;1H |
| InChI Key | CVFWHPQEMOHLDN-UHFFFAOYSA-N |
| MDL Number | MFCD12913125 |
| Molecular Formula | C12H17ClN2O |
| Molecular Weight | 240.7292 |
| SMILES | Cl.NCC1=CC(N2C(=O)CCCC2)=CC=C1 |
| Synonyms | 1-[3-(aminomethyl)phenyl]piperidin-2-one hydrochloride,
1193390-49-6,
AC1Q3D6H,
CTK7E5452,
MCULE-5539164712,
NE55799,
EN300-52546,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.731g/mol |
| Monoisotopic Mass | 240.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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