| CAS Number | 854035-97-5 |
| Catalog Number | AG00IDNK(AGN-PC-0WR4KD) |
| Chemical Name | 4-(1-Aminoethyl)-n,n-diethylbenzenesulfonamide |
| IUPAC Name | 4-(1-aminoethyl)-N,N-diethylbenzenesulfonamide |
| InChI | InChI=1S/C12H20N2O2S/c1-4-14(5-2)17(15,16)12-8-6-11(7-9-12)10(3)13/h6-10H,4-5,13H2,1-3H3 |
| InChI Key | FIYBJCPCCOIVNL-UHFFFAOYSA-N |
| MDL Number | MFCD06655174 |
| Molecular Formula | C12H20N2O2S |
| Molecular Weight | 256.3644 |
| SMILES | CCN(S(C1=CC=C(C(N)C)C=C1)(=O)=O)CC |
| Synonyms | 4-(1-aminoethyl)-N,N-diethylbenzenesulfonamide,
854035-97-5,
4-(1-aminoethyl)-N,N-diethylbenzene-1-sulfonamide,
AC1MX4A0,
AC1Q2ZI1,
CTK6E8650,
MFCD06655174,
AKOS009013322,
MCULE-6460316947,
NE13338,
EN300-10881,
Z90665652,
CID3809717,
4-(1-aminoethyl)-N,N-diethyl-benzenesulfonamide,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.364g/mol |
| Monoisotopic Mass | 256.125g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number