| CAS Number | 1955557-55-7 |
| Catalog Number | AG01B5NJ |
| Chemical Name | 2-(2,3-dichlorophenyl)-2-(methylamino)ethan-1-ol hydrochloride |
| IUPAC Name | 2-(2,3-dichlorophenyl)-2-(methylamino)ethanol;hydrochloride |
| InChI | InChI=1S/C9H11Cl2NO.ClH/c1-12-8(5-13)6-3-2-4-7(10)9(6)11;/h2-4,8,12-13H,5H2,1H3;1H |
| InChI Key | JXKLASDVLDIPQH-UHFFFAOYSA-N |
| MDL Number | MFCD30181151 |
| Molecular Formula | C9H12Cl3NO |
| Molecular Weight | 256.5567 |
| SMILES | Cl.CNC(C1=C(Cl)C(Cl)=CC=C1)CO |
| Synonyms | 2-(2,3-dichlorophenyl)-2-(methylamino)ethan-1-ol hydrochloride,
1955557-55-7,
Z2522870761,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.551g/mol |
| Monoisotopic Mass | 254.998g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number