| CAS Number | 262450-67-9 |
| Catalog Number | AG00BHCP(AGN-PC-0WR2TR) |
| Chemical Name | 2-(3-Bromo-5-methoxyphenyl)ethan-1-amine |
| IUPAC Name | 2-(3-bromo-5-methoxyphenyl)ethanamine |
| InChI | InChI=1S/C9H12BrNO/c1-12-9-5-7(2-3-11)4-8(10)6-9/h4-6H,2-3,11H2,1H3 |
| InChI Key | SVHXNUJVCRLXGF-UHFFFAOYSA-N |
| MDL Number | MFCD12828526 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | COC1=CC(CCN)=CC(Br)=C1 |
| Synonyms | 2-(3-BROMO-5-METHOXYPHENYL)ETHANAMINE,
262450-67-9,
2-(3-bromo-5-methoxyphenyl)ethylamine,
SCHEMBL2424239,
SVHXNUJVCRLXGF-UHFFFAOYSA-N,
AB66382,
CID10609476,
2-(3-bromo-5-methoxy-phenyl)ethanamine,
|
| Complexity | 132 |
| 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 | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number