| CAS Number | 81760-42-1 |
| Catalog Number | AG008LJ4(AGN-PC-07AAQ6) |
| Chemical Name | 3-(2-aminoethyl)benzene-1-sulfonamide |
| IUPAC Name | 3-(2-aminoethyl)benzenesulfonamide |
| InChI | InChI=1S/C8H12N2O2S/c9-5-4-7-2-1-3-8(6-7)13(10,11)12/h1-3,6H,4-5,9H2,(H2,10,11,12) |
| InChI Key | LVLOPTDNFFBZEJ-UHFFFAOYSA-N |
| MDL Number | MFCD18825597 |
| Molecular Formula | C8H12N2O2S |
| Molecular Weight | 200.2581 |
| SMILES | NCCC1=CC(S(N)(=O)=O)=CC=C1 |
| Synonyms | 81760-42-1,
3-(2-Aminoethyl)benzene-1-sulfonamide,
BENZENESULFONAMIDE, 3-(2-AMINOETHYL)-,
SCHEMBL3735049,
CTK5E9077,
DTXSID00664065,
3-(2-aminoethyl)benzenesulfonamide,
ZINC39054603,
AKOS022530971,
Benzenesulfonamide, 3-(2-aminoethyl)- (9CI),
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.256g/mol |
| Monoisotopic Mass | 200.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number