| CAS Number | 1041552-86-6 |
| Catalog Number | AG01AA2C |
| Chemical Name | 3-(1-Aminoethyl)-N-methylbenzene-1-sulfonamide |
| IUPAC Name | 3-(1-aminoethyl)-N-methylbenzenesulfonamide |
| InChI | InChI=1S/C9H14N2O2S/c1-7(10)8-4-3-5-9(6-8)14(12,13)11-2/h3-7,11H,10H2,1-2H3 |
| InChI Key | VDIFODNHFMQIAI-UHFFFAOYSA-N |
| MDL Number | MFCD11121234 |
| Molecular Formula | C9H14N2O2S |
| Molecular Weight | 214.2847 |
| SMILES | CNS(C1=CC(C(N)C)=CC=C1)(=O)=O |
| Synonyms | 3-(1-aminoethyl)-N-methylbenzene-1-sulfonamide,
1041552-86-6,
AC1Q41CI,
AKOS008115921,
MCULE-5630328343,
NE30714,
EN300-66840,
Z1263529650,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.283g/mol |
| Monoisotopic Mass | 214.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number