| CAS Number | 1609395-74-5 |
| Catalog Number | AG00J3ML(AGN-PC-0WB7JE) |
| Chemical Name | N-(4-Methoxybenzyl)-1-(o-tolyl)methanamine hydrobromide |
| IUPAC Name | 1-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine;hydrobromide |
| InChI | InChI=1S/C16H19NO.BrH/c1-13-5-3-4-6-15(13)12-17-11-14-7-9-16(18-2)10-8-14;/h3-10,17H,11-12H2,1-2H3;1H |
| InChI Key | GKGGZVBFTHGMFD-UHFFFAOYSA-N |
| MDL Number | MFCD13186453 |
| Molecular Formula | C16H20BrNO |
| Molecular Weight | 322.2401 |
| SMILES | C1(=CC=CC=C1C)CNCC1C=CC(OC)=CC=1.Br |
| Synonyms | 1609395-74-5,
(4-methoxybenzyl)(2-methylbenzyl)amine hydrobromide,
N-(4-Methoxybenzyl)-1-(o-tolyl)methanamine hydrobromide,
ZX-CM015822,
MFCD13186453,
AKOS027426553,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.246g/mol |
| Monoisotopic Mass | 321.073g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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