| CAS Number | 1221724-53-3 |
| Catalog Number | AG019XZ2 |
| Chemical Name | N-(2-aminoethyl)-3-nitrobenzene-1-sulfonamide hydrochloride |
| IUPAC Name | N-(2-aminoethyl)-3-nitrobenzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C8H11N3O4S.ClH/c9-4-5-10-16(14,15)8-3-1-2-7(6-8)11(12)13;/h1-3,6,10H,4-5,9H2;1H |
| InChI Key | AEXMQVCRAWKUDT-UHFFFAOYSA-N |
| MDL Number | MFCD14705607 |
| Molecular Formula | C8H12ClN3O4S |
| Molecular Weight | 281.7166 |
| SMILES | Cl.NCCNS(C1=CC([N+]([O-])=O)=CC=C1)(=O)=O |
| Synonyms | N-(2-aminoethyl)-3-nitrobenzene-1-sulfonamide hydrochloride,
1221724-53-3,
CTK7E9083,
AKOS008100929,
MCULE-5194656989,
NE23191,
EN300-56444,
Z1262237237,
AC1Q3DE5,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.023705g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.72g/mol |
| Monoisotopic Mass | 281.023705g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 126Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number