| CAS Number | 1211328-07-2 |
| Catalog Number | AG019XLT |
| Chemical Name | {2-[(6-Bromonaphthalen-2-yl)oxy]ethyl}(methyl)amine hydrochloride |
| IUPAC Name | 2-(6-bromonaphthalen-2-yl)oxy-N-methylethanamine;hydrochloride |
| InChI | InChI=1S/C13H14BrNO.ClH/c1-15-6-7-16-13-5-3-10-8-12(14)4-2-11(10)9-13;/h2-5,8-9,15H,6-7H2,1H3;1H |
| InChI Key | DILLPQADXXGCFB-UHFFFAOYSA-N |
| MDL Number | MFCD13196213 |
| Molecular Formula | C13H15BrClNO |
| Molecular Weight | 316.6213 |
| SMILES | Cl.CNCCOC1=CC2=C(C=C(C=C2)Br)C=C1 |
| Synonyms | {2-[(6-bromonaphthalen-2-yl)oxy]ethyl}(methyl)amine hydrochloride,
1211328-07-2,
AC1Q3BU1,
CTK6I5701,
NE61656,
EN300-55352,
(2-[(6-bromonaphthalen-2-yl)oxy]ethyl)(methyl)amine hydrochloride,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.623g/mol |
| Monoisotopic Mass | 315.003g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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