| CAS Number | 1209994-16-0 |
| Catalog Number | AG019XDC |
| Chemical Name | N-(2-aminoethyl)-4-nitrobenzene-1-sulfonamide hydrochloride |
| IUPAC Name | N-(2-aminoethyl)-4-nitrobenzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C8H11N3O4S.ClH/c9-5-6-10-16(14,15)8-3-1-7(2-4-8)11(12)13;/h1-4,10H,5-6,9H2;1H |
| InChI Key | YDKQNKONJGPPBT-UHFFFAOYSA-N |
| MDL Number | MFCD13196119 |
| Molecular Formula | C8H12ClN3O4S |
| Molecular Weight | 281.7166 |
| SMILES | Cl.NCCNS(C1=CC=C([N+]([O-])=O)C=C1)(=O)=O |
| Synonyms | N-(2-aminoethyl)-4-nitrobenzene-1-sulfonamide hydrochloride,
1209994-16-0,
AC1Q3DE7,
CTK7E9078,
AKOS008100928,
MCULE-1246053674,
NE15734,
EN300-54710,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.711g/mol |
| Monoisotopic Mass | 281.024g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number