| CAS Number | 933699-11-7 |
| Catalog Number | AG019N1E |
| Chemical Name | 3-Phenylmethanesulfonylpropan-1-amine |
| IUPAC Name | 3-benzylsulfonylpropan-1-amine |
| InChI | InChI=1S/C10H15NO2S/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,11H2 |
| InChI Key | SWVQQXJXLQSITA-UHFFFAOYSA-N |
| MDL Number | MFCD09942626 |
| Molecular Formula | C10H15NO2S |
| Molecular Weight | 213.2966 |
| SMILES | NCCCS(CC1=CC=CC=C1)(=O)=O |
| Synonyms | 3-phenylmethanesulfonylpropan-1-amine,
3-(benzylsulfonyl)propan-1-amine,
933699-11-7,
AC1Q54JV,
CTK7E8545,
ZINC19488522,
AKOS000186608,
MCULE-3987044221,
NE14657,
EN300-39147,
AB01007421-01,
Z398556724,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.295g/mol |
| Monoisotopic Mass | 213.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number