| CAS Number | 2138157-05-6 |
| Catalog Number | AG01EJCF |
| Chemical Name | N-[3-(Aminomethyl)phenyl]-N-methylmethanesulfonamide hydrochloride |
| IUPAC Name | N-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide;hydrochloride |
| InChI | InChI=1S/C9H14N2O2S.ClH/c1-11(14(2,12)13)9-5-3-4-8(6-9)7-10;/h3-6H,7,10H2,1-2H3;1H |
| InChI Key | ZWIUPNGELQLHCT-UHFFFAOYSA-N |
| MDL Number | MFCD31457064 |
| Molecular Formula | C9H15ClN2O2S |
| Molecular Weight | 250.7456 |
| SMILES | Cl.NCC=1C=C(C=CC1)N(S(=O)(=O)C)C |
| Synonyms | N-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide hydrochloride,
2138157-05-6,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.741g/mol |
| Monoisotopic Mass | 250.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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