| CAS Number | 923177-52-0 |
| Catalog Number | AG019XUR |
| Chemical Name | 1-[2-(aminomethyl)phenyl]-N-(propan-2-yl)methanesulfonamide |
| IUPAC Name | 1-[2-(aminomethyl)phenyl]-N-propan-2-ylmethanesulfonamide |
| InChI | InChI=1S/C11H18N2O2S/c1-9(2)13-16(14,15)8-11-6-4-3-5-10(11)7-12/h3-6,9,13H,7-8,12H2,1-2H3 |
| InChI Key | XDGUHFZUWQPMSL-UHFFFAOYSA-N |
| MDL Number | MFCD08691105 |
| Molecular Formula | C11H18N2O2S |
| Molecular Weight | 242.3378 |
| SMILES | CC(NS(CC1=C(CN)C=CC=C1)(=O)=O)C |
| Synonyms | 1-[2-(aminomethyl)phenyl]-N-(propan-2-yl)methanesulfonamide,
923177-52-0,
[2-(aminomethyl)phenyl]-N-(propan-2-yl)methanesulfonamide,
AC1PMHB7,
AC1Q1QDV,
ZINC8037145,
AKOS009089317,
MCULE-7941074823,
NE31841,
EN300-56085,
1-[2-(aminomethyl)phenyl]-N-propan-2-ylmethanesulfonamide,
CID9167236,
1-[2-(aminomethyl)phenyl]-N-propan-2-yl-methanesulfonamide,
|
| Complexity | 296 |
| 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