| CAS Number | 1270541-79-1 |
| Catalog Number | AG009Z8Z |
| Chemical Name | 1-(5-Bromo-2-methylphenyl)ethan-1-amine |
| IUPAC Name | 1-(5-bromo-2-methylphenyl)ethanamine |
| InChI | InChI=1S/C9H12BrN/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5,7H,11H2,1-2H3 |
| InChI Key | WQPGMVARNYPTKS-UHFFFAOYSA-N |
| MDL Number | MFCD18703756 |
| Molecular Formula | C9H12BrN |
| Molecular Weight | 214.1023 |
| SMILES | CC(C1=C(C)C=CC(Br)=C1)N |
| Synonyms | 1-(5-bromo-2-methylphenyl)ethylamine,
1270541-79-1,
1-(5-bromo-2-methylphenyl)ethan-1-amine,
AKOS022962288,
A1-07962,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.106g/mol |
| Monoisotopic Mass | 213.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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