| CAS Number | 1864760-31-5 |
| Catalog Number | AG01AP7T |
| Chemical Name | 3-(4-Bromophenyl)prop-2-en-1-amine hydrochloride |
| IUPAC Name | 3-(4-bromophenyl)prop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C9H10BrN.ClH/c10-9-5-3-8(4-6-9)2-1-7-11;/h1-6H,7,11H2;1H |
| InChI Key | UTROOURKHTUDDG-UHFFFAOYSA-N |
| MDL Number | MFCD29034453 |
| Molecular Formula | C9H11BrClN |
| Molecular Weight | 248.5473 |
| SMILES | Cl.NCC=CC1=CC=C(Br)C=C1 |
| Synonyms | 3-(4-bromophenyl)prop-2-en-1-amine hydrochloride,
1864760-31-5,
Z2235681463,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.548g/mol |
| Monoisotopic Mass | 246.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number