| CAS Number | 1388074-41-6 |
| Catalog Number | AG01BKAJ |
| Chemical Name | 2-(3-bromo-2-methylphenyl)ethan-1-amine |
| IUPAC Name | 2-(3-bromo-2-methylphenyl)ethanamine |
| InChI | InChI=1S/C9H12BrN/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4H,5-6,11H2,1H3 |
| InChI Key | SDIFZRQYCSLOHO-UHFFFAOYSA-N |
| MDL Number | MFCD22560754 |
| Molecular Formula | C9H12BrN |
| Molecular Weight | 214.1023 |
| SMILES | CC1=C(CCN)C=CC=C1Br |
| Synonyms | 2-(3-bromo-2-methylphenyl)ethan-1-amine,
1388074-41-6,
SCHEMBL6910485,
ZINC84479928,
CS-0084731,
2-(3-bromo-2-methylphenyl)ethanamine,
|
| Complexity | 116 |
| 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 | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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