| CAS Number | 1158237-96-7 |
| Catalog Number | AG01BDMG |
| Chemical Name | 2-{[(3-chlorophenyl)methyl]amino}ethan-1-ol hydrochloride |
| IUPAC Name | 2-[(3-chlorophenyl)methylamino]ethanol;hydrochloride |
| InChI | InChI=1S/C9H12ClNO.ClH/c10-9-3-1-2-8(6-9)7-11-4-5-12;/h1-3,6,11-12H,4-5,7H2;1H |
| InChI Key | CCTACKNPKMIDNS-UHFFFAOYSA-N |
| MDL Number | MFCD07109952 |
| Molecular Formula | C9H13Cl2NO |
| Molecular Weight | 222.1116 |
| SMILES | Cl.OCCNCC1=CC(Cl)=CC=C1 |
| Synonyms | 2-{[(3-chlorophenyl)methyl]amino}ethan-1-ol hydrochloride,
1158237-96-7,
AKOS024397938,
MCULE-6723850936,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.109g/mol |
| Monoisotopic Mass | 221.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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