| CAS Number | 1210516-35-0 |
| Catalog Number | AG019XI6 |
| Chemical Name | 2-[(6-bromonaphthalen-2-yl)oxy]ethan-1-amine hydrochloride |
| IUPAC Name | 2-(6-bromonaphthalen-2-yl)oxyethanamine;hydrochloride |
| InChI | InChI=1S/C12H12BrNO.ClH/c13-11-3-1-10-8-12(15-6-5-14)4-2-9(10)7-11;/h1-4,7-8H,5-6,14H2;1H |
| InChI Key | YVCXYTNNZJXCAS-UHFFFAOYSA-N |
| MDL Number | MFCD13196170 |
| Molecular Formula | C12H13BrClNO |
| Molecular Weight | 302.5947 |
| SMILES | Cl.NCCOC1=CC2=C(C=C(C=C2)Br)C=C1 |
| Synonyms | 2-(2-aminoethoxy)-6-bromonaphthalene hydrochloride,
1210516-35-0,
2-[(6-bromonaphthalen-2-yl)oxy]ethan-1-amine hydrochloride,
AC1Q3DES,
CTK7E9150,
AKOS030715168,
MCULE-6148810891,
NE50361,
EN300-55071,
Z1695797856,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.596g/mol |
| Monoisotopic Mass | 300.987g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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