| CAS Number | 915920-76-2 |
| Catalog Number | AG006GLB(AGN-PC-0WB4UE) |
| Chemical Name | 2-(4-Bromo-2-methylphenoxy)-N-methylethanamine |
| IUPAC Name | 2-(4-bromo-2-methylphenoxy)-N-methylethanamine |
| InChI | InChI=1S/C10H14BrNO/c1-8-7-9(11)3-4-10(8)13-6-5-12-2/h3-4,7,12H,5-6H2,1-2H3 |
| InChI Key | HUUMBQFGQWPTQP-UHFFFAOYSA-N |
| MDL Number | MFCD08691783 |
| Molecular Formula | C10H14BrNO |
| Molecular Weight | 244.1283 |
| SMILES | CNCCOc1ccc(cc1C)Br |
| Synonyms | 2-(4-BROMO-2-METHYLPHENOXY)-N-METHYLETHANAMINE,
915920-76-2,
CTK5G9936,
DTXSID90651080,
CHEMBRDG-BB 7709487,
ZX-CM017442,
MFCD08691783,
ZINC19094035,
AKOS012519741,
AJ-72303,
BBV-37109277,
Y-4441,
2-(4-Bromo-2-methylphenoxy)-N-methylethan-1-amine,
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.132g/mol |
| Monoisotopic Mass | 243.026g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number