| CAS Number | 788824-64-6 |
| Catalog Number | AG005OXE(AGN-PC-00B5FU) |
| Chemical Name | 3-Iodothyronamine hydrochloride |
| IUPAC Name | 4-[4-(2-aminoethyl)-2-iodophenoxy]phenol;hydrochloride |
| InChI | InChI=1S/C14H14INO2.ClH/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12;/h1-6,9,17H,7-8,16H2;1H |
| InChI Key | RVKVVMXTPQCCIX-UHFFFAOYSA-N |
| MDL Number | MFCD11973725 |
| Molecular Formula | C14H15ClINO2 |
| Molecular Weight | 391.6319 |
| SMILES | OC1=CC=C(OC2=C(I)C=C(CCN)C=C2)C=C1.Cl |
| Synonyms | 3-Iodothyronamine Hydrochloride,
788824-64-6,
4-[4-(2-Aminoethyl)-2-iodophenoxy]phenol Hydrochloride,
CHEMBL229288,
CTK8E9577,
DTXSID40675978,
T1AM, >=98% (HPLC),
AKOS030255250,
RT-008767,
FT-0670395,
4-[4-(2-aminoethyl)-2-iodophenoxy]phenol;hydrochloride,
4-[4-(2-Aminoethyl)-2-iodophenoxy]phenol--hydrogen chloride (1/1),
4-[4- -2-iodophenoxy]phenolHydrochloride,
4-[4-(2-aminoethyl)-2-iodophenoxy]phenol,hydrochloride,
712349-95-6,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 391.633g/mol |
| Monoisotopic Mass | 390.984g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number