| CAS Number | 920111-82-6 |
| Catalog Number | AG00H54S(AGN-PC-0WB6RG) |
| Chemical Name | 1-[2-(Methylsulfonyl)ethyl]piperidin-4-amine dihydrochloride |
| IUPAC Name | 1-(2-methylsulfonylethyl)piperidin-4-amine |
| InChI | InChI=1S/C8H18N2O2S/c1-13(11,12)7-6-10-4-2-8(9)3-5-10/h8H,2-7,9H2,1H3 |
| InChI Key | QALGAOIRWPAJNR-UHFFFAOYSA-N |
| MDL Number | MFCD16620371 |
| Molecular Formula | C8H18N2O2S |
| Molecular Weight | 206.3057 |
| SMILES | CS(CCN1CCC(N)CC1)(=O)=O |
| Synonyms | 920111-82-6,
1-(2-(Methylsulfonyl)ethyl)piperidin-4-amine,
1-(2-methanesulfonylethyl)piperidin-4-amine,
1-[2-(methylsulfonyl)ethyl]piperidin-4-amine,
SCHEMBL2686754,
ALBB-014089,
STL090027,
ZINC37743370,
AKOS005174490,
MCULE-1642056799,
AJ-94233,
FT-0684176,
1-[2-(methylsulfonyl)ethyl]-4-piperidinamine,
EN300-73790,
Y-7224,
Z1266854977,
4-piperidinamine, 1-[2-(methylsulfonyl)ethyl]-, dihydrochloride,
1-[2-(METHYLSULFONYL)ETHYL]PIPERIDIN-4-AMINE DIHYDROCHLORIDE,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.304g/mol |
| Monoisotopic Mass | 206.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
Lot Number