| CAS Number | 138228-13-4 |
| Catalog Number | AG01B1P1(AGN-PC-0PME1J) |
| Chemical Name | 1-(4-Bromo-2-methoxyphenyl)ethan-1-amine |
| IUPAC Name | 1-(4-bromo-2-methoxyphenyl)ethanamine |
| InChI | InChI=1S/C9H12BrNO/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-6H,11H2,1-2H3 |
| InChI Key | YNTNFAMPGFYIOW-UHFFFAOYSA-N |
| MDL Number | MFCD18705432 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | COC1=C(C(N)C)C=CC(Br)=C1 |
| Synonyms | 1-(4-bromo-2-methoxyphenyl)ethan-1-amine,
138228-13-4,
SCHEMBL4974576,
4-bromo-2,5-methoxyphenylethylamine,
AKOS017549276,
NE37758,
A1-07278,
1-(4-bromo-2-methoxyphenyl)ethylamine,
|
| Complexity | 143 |
| 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 | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number