| CAS Number | 1415257-65-6 |
| Catalog Number | AG01A2XN |
| Chemical Name | (R)-1-(4-(Methylsulfonyl)phenyl)ethanamine hydrochloride |
| IUPAC Name | (1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H13NO2S.ClH/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;/h3-7H,10H2,1-2H3;1H/t7-;/m1./s1 |
| InChI Key | JAECXGZNWPVNEU-OGFXRTJISA-N |
| MDL Number | MFCD22628406 |
| Molecular Formula | C9H14ClNO2S |
| Molecular Weight | 235.7310 |
| SMILES | Cl.CS(=O)(=O)C1=CC=C(C=C1)[C@@H](C)N |
| Synonyms | 1415257-65-6,
(1R)-1-(4-methanesulfonylphenyl)ethan-1-amine hydrochloride,
(R)-1-(4-(Methylsulfonyl)phenyl)ethanamine hydrochloride,
(S)-1-(4-(Methylsulfonyl)phenyl)ethanamine hydrochloride,
AKOS030624894,
MCULE-6638820095,
NE39487,
Z1536936181,
1212202-62-4,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.726g/mol |
| Monoisotopic Mass | 235.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number