| CAS Number | 1609406-48-5 |
| Catalog Number | AG00J3PO(AGN-PC-0WB7H5) |
| Chemical Name | (2,3-Dimethoxybenzyl)(3-pyridinylmethyl)amine hydrobromide |
| IUPAC Name | N-[(2,3-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrobromide |
| InChI | InChI=1S/C15H18N2O2.BrH/c1-18-14-7-3-6-13(15(14)19-2)11-17-10-12-5-4-8-16-9-12;/h3-9,17H,10-11H2,1-2H3;1H |
| InChI Key | RAASVGNMRSDDER-UHFFFAOYSA-N |
| MDL Number | MFCD13194072 |
| Molecular Formula | C15H19BrN2O2 |
| Molecular Weight | 339.2276 |
| SMILES | C1(OC)=C(C=CC=C1CNCC1=CC=CN=C1)OC.Br |
| Synonyms | 1609406-48-5,
(2,3-dimethoxybenzyl)(3-pyridinylmethyl)amine hydrobromide,
ZX-CM015974,
MFCD13194072,
AKOS027426707,
N-(2,3-Dimethoxybenzyl)-1-(pyridin-3-yl)methanamine hydrobromide,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.233g/mol |
| Monoisotopic Mass | 338.063g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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