| CAS Number | 1803606-14-5 |
| Catalog Number | AG01BE4U |
| Chemical Name | 3-amino-2-[(3-bromophenyl)methyl]propan-1-ol hydrochloride |
| IUPAC Name | 2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride |
| InChI | InChI=1S/C10H14BrNO.ClH/c11-10-3-1-2-8(5-10)4-9(6-12)7-13;/h1-3,5,9,13H,4,6-7,12H2;1H |
| InChI Key | GVLXRJWSGINXFI-UHFFFAOYSA-N |
| MDL Number | MFCD28118292 |
| Molecular Formula | C10H15BrClNO |
| Molecular Weight | 280.5892 |
| SMILES | Cl.NCC(CC1=CC(Br)=CC=C1)CO |
| Synonyms | 3-amino-2-[(3-bromophenyl)methyl]propan-1-ol hydrochloride,
1803606-14-5,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.59g/mol |
| Monoisotopic Mass | 279.003g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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