| CAS Number | 1212202-62-4 |
| Catalog Number | AG019WT5(AGN-PC-0WNGJ6) |
| Chemical Name | (1S)-1-(4-methanesulfonylphenyl)ethan-1-amine hydrochloride |
| IUPAC Name | (1S)-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-;/m0./s1 |
| InChI Key | JAECXGZNWPVNEU-FJXQXJEOSA-N |
| MDL Number | MFCD12913202 |
| Molecular Formula | C9H14ClNO2S |
| Molecular Weight | 235.7310 |
| SMILES | C[C@@H](c1ccc(cc1)S(=O)(=O)C)N.Cl |
| Synonyms | 1212202-62-4,
(1S)-1-(4-methanesulfonylphenyl)ethan-1-amine hydrochloride,
(S)-1-(4-(Methylsulfonyl)phenyl)ethanamine hydrochloride,
AC1Q38QS,
CTK5J1408,
KS-00000U2Y,
MFCD12913202,
AKOS030632943,
MCULE-7746051244,
NE37347,
DS-19782,
EN300-53083,
(S)-1-(4-(methylsulfonyl)-phenyl)ethanamine hcl,
(1S)-1-(4-Methanesulfonylphenyl)ethan-1-amine HCl,
J-502347,
Z1696824095,
|
| 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
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Certificate of Analysis
Lot Number