| CAS Number | 178624-90-3 |
| Catalog Number | AG00266Q(AGN-PC-0QBF87) |
| Chemical Name | 3-Methyl-1-(toluene-4-sulfonyl)-piperazine |
| IUPAC Name | 3-methyl-1-(4-methylphenyl)sulfonylpiperazine |
| InChI | InChI=1S/C12H18N2O2S/c1-10-3-5-12(6-4-10)17(15,16)14-8-7-13-11(2)9-14/h3-6,11,13H,7-9H2,1-2H3 |
| InChI Key | KVFXTJXVCJULLQ-UHFFFAOYSA-N |
| MDL Number | MFCD06795933 |
| Molecular Formula | C12H18N2O2S |
| Molecular Weight | 254.3485 |
| SMILES | S(=O)(=O)(N1(CC(NCC1)C))C2(=CC=C(C)C=C2) |
| Synonyms | 178624-90-3,
3-METHYL-1-(TOLUENE-4-SULFONYL)-PIPERAZINE,
3-Methyl-1-tosylpiperazine,
Piperazine, 3-methyl-1-[(4-methylphenyl)sulfonyl]-,
Piperazine,3-methyl-1-[(4-methylphenyl)sulfonyl]-,
CTK4D6848,
DTXSID70444452,
MFCD06795933,
AKOS014786505,
IMED1262530515,
ACM178624903,
AS-11224,
M-1554,
I14-33247,
C12H18N2O2S,
CID10753459,
3-methyl-1-(4-methylphenyl)sulfonyl-piperazine,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.348g/mol |
| Monoisotopic Mass | 254.109g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number