| CAS Number | 46207-70-9 |
| Catalog Number | AG019XI0(AGN-PC-04PKPX) |
| Chemical Name | 2-Phenylmethanesulfonylethan-1-amine |
| IUPAC Name | 2-benzylsulfonylethanamine |
| InChI | InChI=1S/C9H13NO2S/c10-6-7-13(11,12)8-9-4-2-1-3-5-9/h1-5H,6-8,10H2 |
| InChI Key | HFXOJXCIDOLORW-UHFFFAOYSA-N |
| MDL Number | MFCD09939410 |
| Molecular Formula | C9H13NO2S |
| Molecular Weight | 199.2700 |
| SMILES | NCCS(CC1=CC=CC=C1)(=O)=O |
| Synonyms | 2-phenylmethanesulfonylethan-1-amine,
2-(phenylmethane)sulfonylethan-1-amine,
MCULE-2865447236,
EN300-55062,
AB01002770-01,
46207-70-9,
AC1Q54NN,
2-(benzylsulfonyl)ethylamine,
SCHEMBL1577857,
1-[benzylsulfonyl]eth-2-ylamine,
SBB076779,
ZINC19480383,
AKOS000185238,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.268g/mol |
| Monoisotopic Mass | 199.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number