| CAS Number | 1609407-24-0 |
| Catalog Number | AG00J3K0 |
| Chemical Name | N-(2,5-dimethoxybenzyl)-1-methoxy-2-propanamine hydrobromide |
| IUPAC Name | N-[(2,5-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine;hydrobromide |
| InChI | InChI=1S/C13H21NO3.BrH/c1-10(9-15-2)14-8-11-7-12(16-3)5-6-13(11)17-4;/h5-7,10,14H,8-9H2,1-4H3;1H |
| InChI Key | MLEVPXMXYHBHFJ-UHFFFAOYSA-N |
| MDL Number | MFCD13186306 |
| Molecular Formula | C13H22BrNO3 |
| Molecular Weight | 320.2227 |
| SMILES | C1(CNC(C)COC)=CC(OC)=CC=C1OC.Br |
| Synonyms | N-(2,5-dimethoxybenzyl)-1-methoxy-2-propanamine hydrobromide,
1609407-24-0,
ZX-CM015687,
MFCD13186306,
356093-25-9,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.227g/mol |
| Monoisotopic Mass | 319.078g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 39.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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