| CAS Number | 57704-36-6 |
| Catalog Number | AG00EEGC(AGN-PC-0SO7P4) |
| Chemical Name | D-THREO-1-(4-AMINOPHENYL)-2-DICHLOROACETYLAMINO-1,3-PROPANEDIOL, HYDROCHLORIDE |
| IUPAC Name | N-[(1R,2R)-1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide;hydrochloride |
| InChI | InChI=1S/C11H14Cl2N2O3.ClH/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6;/h1-4,8-10,16-17H,5,14H2,(H,15,18);1H/t8-,9-;/m1./s1 |
| InChI Key | AUVANTYWDCEWMP-VTLYIQCISA-N |
| MDL Number | MFCD04039397 |
| Molecular Formula | C11H15Cl3N2O3 |
| Molecular Weight | 329.6074 |
| SMILES | Cl.Nc1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl |
| Synonyms | 57704-36-6,
D-threo-1-(4-Aminophenyl)-2-dichloroacetylamino-1,3-propanediol Hydrochloride,
CTK8F9389,
DTXSID20675597,
AKOS030254308,
FT-0662007,
cis-N-[2-(4-Aminophenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloroacetamide Monohydrochloride,
N-[(1R,2R)-1-(4-Aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide--hydrogen chloride (1/1),
AUVANTYWDCEWMP-VTLYIQCISA-N,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.602g/mol |
| Monoisotopic Mass | 328.015g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 95.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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