| CAS Number | 1170451-53-2 |
| Catalog Number | AG019UTM |
| Chemical Name | 4-(aminomethyl)-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide hydrochloride |
| IUPAC Name | 4-(aminomethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C12H18N2O3S.ClH/c13-8-10-3-5-12(6-4-10)18(15,16)14-9-11-2-1-7-17-11;/h3-6,11,14H,1-2,7-9,13H2;1H |
| InChI Key | UOYJANRFJOBAME-UHFFFAOYSA-N |
| MDL Number | MFCD11857958 |
| Molecular Formula | C12H19ClN2O3S |
| Molecular Weight | 306.8089 |
| SMILES | Cl.NCC1=CC=C(S(NCC2OCCC2)(=O)=O)C=C1 |
| Synonyms | 4-(aminomethyl)-N-(oxolan-2-ylmethyl)benzene-1-sulfonamide hydrochloride,
1170451-53-2,
AC1Q3D7F,
CTK7E5114,
AKOS008099713,
MCULE-1711384316,
NE23050,
EN300-42772,
Z444349698,
4-(aminomethyl)-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide hydrochloride,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.805g/mol |
| Monoisotopic Mass | 306.08g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number