| CAS Number | 915920-44-4 |
| Catalog Number | AG006TF9(AGN-PC-0WB4UD) |
| Chemical Name | [2-(2-Bromophenoxy)ethyl](methyl)amine |
| IUPAC Name | 2-(2-bromophenoxy)-N-methylethanamine |
| InChI | InChI=1S/C9H12BrNO/c1-11-6-7-12-9-5-3-2-4-8(9)10/h2-5,11H,6-7H2,1H3 |
| InChI Key | UYEOHCQQNKXAPC-UHFFFAOYSA-N |
| MDL Number | MFCD08691782 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | CNCCOc1ccccc1Br |
| Synonyms | 2-(2-BROMOPHENOXY)-N-METHYLETHANAMINE,
915920-44-4,
SCHEMBL5362726,
CTK5G9914,
DTXSID90591710,
ZX-CM017441,
MFCD08691782,
ZINC16293935,
AKOS009273645,
BBV-253301,
MCULE-7316028416,
AJ-68850,
2-(2-Bromophenoxy)-N-methylethan-1-amine,
Y-4440,
[2-(2-BROMOPHENOXY)ETHYL](METHYL)AMINE,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number