| CAS Number | 634150-47-3 |
| Catalog Number | AG019ON7 |
| Chemical Name | 1-(3-Bromo-4-methoxyphenyl)ethan-1-amine |
| IUPAC Name | 1-(3-bromo-4-methoxyphenyl)ethanamine |
| InChI | InChI=1S/C9H12BrNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3 |
| InChI Key | ODYLWSUKSYAEEN-UHFFFAOYSA-N |
| MDL Number | MFCD05215328 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | COC1=C(Br)C=C(C(N)C)C=C1 |
| Synonyms | 1-(3-bromo-4-methoxyphenyl)ethanamine,
1-(3-bromo-4-methoxyphenyl)ethan-1-amine,
634150-47-3,
1212252-44-2,
(1S)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine,
1212315-80-4,
AC1NFACS,
AC1Q44L8,
CTK7A5574,
HMS1741B06,
AKOS000118380,
AKOS017277948,
MCULE-9047368680,
EN300-14587,
Z104378192,
CID4680417,
1-(3-bromo-4-methoxy-phenyl)ethanamine,
(1R)-1-(3-bromo-4-methoxyphenyl)ethan-1-amine,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number