| CAS Number | 1820687-56-6 |
| Catalog Number | AG01AS8K(AGN-PC-0WCOEC) |
| Chemical Name | 1-[4-(aminomethyl)phenyl]ethan-1-one hydrobromide |
| IUPAC Name | 1-[4-(aminomethyl)phenyl]ethanone;hydrobromide |
| InChI | InChI=1S/C9H11NO.BrH/c1-7(11)9-4-2-8(6-10)3-5-9;/h2-5H,6,10H2,1H3;1H |
| InChI Key | MYUGICLBXMXFOZ-UHFFFAOYSA-N |
| MDL Number | MFCD28166140 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | Br.CC(C1=CC=C(CN)C=C1)=O |
| Synonyms | 1-(4-(aminomethyl)phenyl)ethan-1-one hydrobromide,
1820687-56-6,
AKOS026677193,
F2189-1047,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number