| CAS Number | 210827-27-3 |
| Catalog Number | AG019OIN |
| Chemical Name | 3-(1-Aminoethyl)benzene-1-sulfonamide hydrochloride |
| IUPAC Name | 3-(1-aminoethyl)benzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C8H12N2O2S.ClH/c1-6(9)7-3-2-4-8(5-7)13(10,11)12;/h2-6H,9H2,1H3,(H2,10,11,12);1H |
| InChI Key | NQXMYDVYYNPZGZ-UHFFFAOYSA-N |
| MDL Number | MFCD07330006 |
| Molecular Formula | C8H13ClN2O2S |
| Molecular Weight | 236.7190 |
| SMILES | Cl.CC(C1=CC(S(N)(=O)=O)=CC=C1)N |
| Synonyms | 3-(1-aminoethyl)benzene-1-sulfonamide hydrochloride,
210827-27-3,
3-(1-aminoethyl)benzenesulfonamide hydrochloride,
AC1Q397M,
SCHEMBL7142051,
CTK6A5519,
MCULE-6201613758,
EN300-14097,
SR-01000073163,
SR-01000073163-1,
Z96092061,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.714g/mol |
| Monoisotopic Mass | 236.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number