| CAS Number | 1803610-50-5 |
| Catalog Number | AG01B8EX |
| Chemical Name | [(2-bromo-4-methylphenyl)methyl][(furan-2-yl)methyl]amine hydrochloride |
| IUPAC Name | 1-(2-bromo-4-methylphenyl)-N-(furan-2-ylmethyl)methanamine;hydrochloride |
| InChI | InChI=1S/C13H14BrNO.ClH/c1-10-4-5-11(13(14)7-10)8-15-9-12-3-2-6-16-12;/h2-7,15H,8-9H2,1H3;1H |
| InChI Key | SXAVHDXTPHGOPU-UHFFFAOYSA-N |
| MDL Number | MFCD28246492 |
| Molecular Formula | C13H15BrClNO |
| Molecular Weight | 316.6213 |
| SMILES | Cl.CC1=CC(Br)=C(CNCC2OC=CC=2)C=C1 |
| Synonyms | [(2-bromo-4-methylphenyl)methyl](furan-2-ylmethyl)amine hydrochloride,
1803610-50-5,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.623g/mol |
| Monoisotopic Mass | 315.003g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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