| CAS Number | 877825-84-8 |
| Catalog Number | AG00IERE |
| Chemical Name | 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide |
| IUPAC Name | 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide |
| InChI | InChI=1S/C9H14N2O2S/c1-11-14(12,13)7-9-5-3-2-4-8(9)6-10/h2-5,11H,6-7,10H2,1H3 |
| InChI Key | DWCPYDOKYHSAOI-UHFFFAOYSA-N |
| MDL Number | MFCD07847869 |
| Molecular Formula | C9H14N2O2S |
| Molecular Weight | 214.2847 |
| SMILES | CNS(CC1=C(CN)C=CC=C1)(=O)=O |
| Synonyms | 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide,
877825-84-8,
1-(2-(Aminomethyl)phenyl)-N-methylmethanesulfonamide,
CTK7E6047,
HMS1776I11,
ZINC7978591,
AKOS000119061,
MCULE-8062179666,
NE53445,
EN300-24003,
Z168883430,
AC1PK8TI,
AC1Q41DO,
CID9106618,
Benzenemethanesulfonamide, 2-(aminomethyl)-N-methyl,
1-[2-(aminomethyl)phenyl]-N-methyl-methanesulfonamide,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.077599g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.29g/mol |
| Monoisotopic Mass | 214.077599g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number