| CAS Number | 1311314-58-5 |
| Catalog Number | AG01AHC9 |
| Chemical Name | 5-(2,4,6-tribromophenoxy)pentan-2-amine hydrochloride |
| IUPAC Name | 5-(2,4,6-tribromophenoxy)pentan-2-amine;hydrochloride |
| InChI | InChI=1S/C11H14Br3NO.ClH/c1-7(15)3-2-4-16-11-9(13)5-8(12)6-10(11)14;/h5-7H,2-4,15H2,1H3;1H |
| InChI Key | HANKKHGUOLHWGL-UHFFFAOYSA-N |
| MDL Number | MFCD18785461 |
| Molecular Formula | C11H15Br3ClNO |
| Molecular Weight | 452.4079 |
| SMILES | Cl.CC(CCCOC1=C(Br)C=C(Br)C=C1Br)N |
| Synonyms | 2-[(4-aminopentyl)oxy]-1,3,5-tribromobenzene hydrochloride,
1311314-58-5,
NE22590,
EN300-74296,
5-(2,4,6-tribromophenoxy)pentan-2-amine hydrochloride,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 450.837g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 452.409g/mol |
| Monoisotopic Mass | 448.839g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number