| CAS Number | 1213157-35-7 |
| Catalog Number | AG01DU5R |
| Chemical Name | (αS)-4-Bromo-N,α-dimethylbenzenemethanamine |
| IUPAC Name | 1-(4-bromophenyl)-N-methylethanamine |
| InChI | InChI=1S/C9H12BrN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3 |
| InChI Key | TVQBCTRZCIYCJB-UHFFFAOYSA-N |
| MDL Number | MFCD09826625 |
| Molecular Formula | C9H12BrN |
| Molecular Weight | 214.1023 |
| SMILES | BrC1=CC=C(C=C1)[C@H](C)NC |
| Synonyms | [1-(4-bromophenyl)ethyl](methyl)amine,
(S)-1-(4-Bromophenyl)-N-methylethanamine,
87310-44-9,
[(1S)-1-(4-BROMOPHENYL)ETHYL](METHYL)AMINE HCl,
1213157-35-7,
Benzenemethanamine, 4-bromo-N,alpha-dimethyl-,
SCHEMBL178498,
CTK6I4591,
TVQBCTRZCIYCJB-UHFFFAOYSA-N,
1-(4-bromophenyl)-N-methylethanamine,
AKOS000140331,
AKOS016050693,
N-[1-(4-BROMOPHENYL)ETHYL]-N-METHYLAMINE,
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| Complexity | 108 |
| 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 | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number