| CAS Number | 7569-73-5 |
| Catalog Number | AG01AHOA |
| Chemical Name | 2-(5-Chloro-2-methoxyphenyl)ethan-1-amine Hydrochloride |
| IUPAC Name | 2-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H12ClNO.ClH/c1-12-9-3-2-8(10)6-7(9)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H |
| InChI Key | SMAHWYZVLIKBNR-UHFFFAOYSA-N |
| MDL Number | MFCD18785547 |
| Molecular Formula | C9H13Cl2NO |
| Molecular Weight | 222.1116 |
| SMILES | Cl.ClC1=CC=C(OC)C(=C1)CCN |
| Synonyms | 2-(5-chloro-2-methoxyphenyl)ethan-1-amine hydrochloride,
7569-73-5,
MCULE-8175028686,
NE57416,
EN300-75314,
Z1267773768,
(5-Chloro-2-methoxybenzyl)methylamine hydrochloride,
|
| Complexity | 132 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.109g/mol |
| Monoisotopic Mass | 221.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number