| CAS Number | 1185304-35-1 |
| Catalog Number | AG00J0VD |
| Chemical Name | {2-[(4-methyl-1-piperidinyl)sulfonyl]ethyl}amine oxalate |
| IUPAC Name | 2-(4-methylpiperidin-1-yl)sulfonylethanamine;oxalic acid |
| InChI | InChI=1S/C8H18N2O2S.C2H2O4/c1-8-2-5-10(6-3-8)13(11,12)7-4-9;3-1(4)2(5)6/h8H,2-7,9H2,1H3;(H,3,4)(H,5,6) |
| InChI Key | WEKALXKJIVRFRB-UHFFFAOYSA-N |
| MDL Number | MFCD11506529 |
| Molecular Formula | C10H20N2O6S |
| Molecular Weight | 296.3406 |
| SMILES | S(=O)(=O)(CCN)N1CCC(CC1)C.C(O)(=O)C(O)=O |
| Synonyms | 2-(4-Methyl-piperidine-1-sulfonyl)-ethylamine oxalate,
1185304-35-1,
2-[(4-methylpiperidin-1-yl)sulfonyl]ethanamine oxalate,
CTK7I3947,
ZX-CM000605,
MFCD11506529,
AKOS015837599,
TR-056046,
{2-[(4-methyl-1-piperidinyl)sulfonyl]ethyl}amine oxalate,
2-(4-methylpiperidin-1-ylsulfonyl)ethanamine; oxalic acid,
924873-23-4,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.338g/mol |
| Monoisotopic Mass | 296.104g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number