| CAS Number | 100607-15-6 |
| Catalog Number | AG0002H9(AGN-PC-0WB4UH) |
| Chemical Name | [2-(3-Bromophenoxy)ethyl](methyl)amine |
| IUPAC Name | 2-(3-bromophenoxy)-N-methylethanamine |
| InChI | InChI=1S/C9H12BrNO/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7,11H,5-6H2,1H3 |
| InChI Key | PQIPCIAJXVJILP-UHFFFAOYSA-N |
| MDL Number | MFCD08691788 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | C1C(=CC=CC=1Br)OCCNC |
| Synonyms | 2-(3-BROMOPHENOXY)-N-METHYLETHANAMINE,
100607-15-6,
CTK3J9125,
DTXSID40651297,
ZX-CM017447,
MFCD08691788,
ZINC19776828,
AKOS009064832,
BBV-208189,
AJ-74872,
2-(3-Bromophenoxy)-N-methylethan-1-amine,
Ethanamine, 2-(3-bromophenoxy)-N-methyl-,
Y-4445,
[2-(3-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 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number