| CAS Number | 1216110-40-5 |
| Catalog Number | AG00J2RC(AGN-PC-0WB73M) |
| Chemical Name | 3-[(methylsulfonyl)methyl]piperidine hydrochloride |
| IUPAC Name | 3-(methylsulfonylmethyl)piperidine;hydrochloride |
| InChI | InChI=1S/C7H15NO2S.ClH/c1-11(9,10)6-7-3-2-4-8-5-7;/h7-8H,2-6H2,1H3;1H |
| InChI Key | IKBLOLUPTLXODX-UHFFFAOYSA-N |
| MDL Number | MFCD24387560 |
| Molecular Formula | C7H16ClNO2S |
| Molecular Weight | 213.7254 |
| SMILES | S(C)(CC1CCCNC1)(=O)=O.Cl |
| Synonyms | 1216110-40-5,
3-[(Methylsulfonyl)methyl]piperidine hydrochloride,
3-(methanesulfonylmethyl)piperidine hydrochloride,
3-((Methylsulfonyl)methyl)piperidine hydrochloride,
MFCD24387560,
3-(Methylsulfonylmethyl)piperidine HCl,
AKOS026746732,
F2167-0299,
Z2211231332,
3-[(Methylsulfonyl)methyl]piperidine hydrochloride, AldrichCPR,
3-(methylsulfonylmethyl)piperidine;hydrochloride,
290328-54-0,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.72g/mol |
| Monoisotopic Mass | 213.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number