| CAS Number | 39260-90-7 |
| Catalog Number | AG01B58K |
| Chemical Name | 2-(4-iodophenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(4-iodophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H10IN.ClH/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H |
| InChI Key | RCJUNYBPNPSJJT-UHFFFAOYSA-N |
| MDL Number | MFCD14636448 |
| Molecular Formula | C8H11ClIN |
| Molecular Weight | 283.5371 |
| SMILES | Cl.NCCC1=CC=C(I)C=C1 |
| Synonyms | 2-(4-iodophenyl)ethan-1-amine hydrochloride,
39260-90-7,
Z2680629308,
|
| Complexity | 87.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.537g/mol |
| Monoisotopic Mass | 282.962g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number