| CAS Number | 953715-40-7 |
| Catalog Number | AG00IJ06(AGN-PC-0WD427) |
| Chemical Name | 3-(aminomethyl)-N-isopropylbenzenesulfonamide |
| IUPAC Name | 3-(aminomethyl)-N-propan-2-ylbenzenesulfonamide |
| InChI | InChI=1S/C10H16N2O2S/c1-8(2)12-15(13,14)10-5-3-4-9(6-10)7-11/h3-6,8,12H,7,11H2,1-2H3 |
| InChI Key | RBLLZFKXJIFDCL-UHFFFAOYSA-N |
| MDL Number | MFCD09735338 |
| Molecular Formula | C10H16N2O2S |
| Molecular Weight | 228.3112 |
| SMILES | CC(NS(C1=CC(CN)=CC=C1)(=O)=O)C |
| Synonyms | 3-(aminomethyl)-N-isopropylbenzenesulfonamide,
953715-40-7,
3-(aminomethyl)-N-(propan-2-yl)benzene-1-sulfonamide,
AC1Q1QDG,
CTK7E5833,
DTXSID40588519,
ZINC12896137,
AKOS000143577,
MCULE-9194810383,
NE55500,
AJ-63065,
RT-008462,
EN300-31176,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.31g/mol |
| Monoisotopic Mass | 228.093g/mol |
| Rotatable Bond Count | 4 |
| 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
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Certificate of Analysis
Lot Number