| CAS Number | 923171-38-4 |
| Catalog Number | AG019X0I |
| Chemical Name | 1-[4-(Aminomethyl)phenyl]-N-isopropylmethanesulfonamide |
| IUPAC Name | 1-[4-(aminomethyl)phenyl]-N-propan-2-ylmethanesulfonamide |
| InChI | InChI=1S/C11H18N2O2S/c1-9(2)13-16(14,15)8-11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3 |
| InChI Key | MFSMJCXBRIYZJH-UHFFFAOYSA-N |
| MDL Number | MFCD08444223 |
| Molecular Formula | C11H18N2O2S |
| Molecular Weight | 242.3378 |
| SMILES | CC(NS(CC1=CC=C(CN)C=C1)(=O)=O)C |
| Synonyms | 923171-38-4,
1-[4-(aminomethyl)phenyl]-N-(propan-2-yl)methanesulfonamide,
1-[4-(aminomethyl)phenyl]-N-isopropylmethanesulfonamide,
[4-(aminomethyl)phenyl]-N-(propan-2-yl)methanesulfonamide,
AC1Q1QDX,
SCHEMBL5121672,
Benzenemethanesulfonamide, 4-(aminomethyl)-N-(1-methylethyl)-,
ZINC8231191,
AKOS009089428,
MCULE-9462800051,
NE43497,
EN300-53705,
CID9361736,
1-[4-(aminomethyl)phenyl]-N-propan-2-yl-methanesulfonamide,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.337g/mol |
| Monoisotopic Mass | 242.109g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number