| CAS Number | 1172352-46-3 |
| Catalog Number | AG0099KQ(AGN-PC-0WR07E) |
| Chemical Name | Methyl-[2-(4-methylphenylsulfonyl)ethyl]amine, HCl |
| IUPAC Name | N-methyl-2-(4-methylphenyl)sulfonylethanamine;hydrochloride |
| InChI | InChI=1S/C10H15NO2S.ClH/c1-9-3-5-10(6-4-9)14(12,13)8-7-11-2;/h3-6,11H,7-8H2,1-2H3;1H |
| InChI Key | JKFNQSAKSVPDHT-UHFFFAOYSA-N |
| MDL Number | MFCD05863881 |
| Molecular Formula | C10H16ClNO2S |
| Molecular Weight | 249.7575 |
| SMILES | Cl.CNCCS(=O)(=O)C1=CC=C(C)C=C1 |
| Synonyms | 1172352-46-3,
N-methyl-2-tosylethanamine hydrochloride,
METHYL-[2-(4-METHYLPHENYLSULFONYL)ETHYL]AMINE HCL,
METHYL-[2-(4-METHYLPHENYLSULFONYL)ETHYL]AMINE HYDROCHLORIDE,
CTK6I5718,
MPS-Q06-1,
DTXSID60590053,
ZX-AT029507,
7423AH,
AR3761,
MFCD05863881,
AS-45685,
A-7373,
Methyl-[2-(4-methylphenylsulfonyl)ethyl]amine, HCl,
methyl[2-(4-methylbenzenesulfonyl)ethyl]amine hydrochloride,
methyl-[2-(4-methylphenylsulphonyl)ethyl]amine hydrochloride,
N-Methyl-2-(4-methylbenzene-1-sulfonyl)ethan-1-amine--hydrogen chloride (1/1),
C10H15NO2S.HCl,
tert-butyl 4-(3-amino-4-pyridinyl)-1-piperazinecarboxylate,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.753g/mol |
| Monoisotopic Mass | 249.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number