| CAS Number | 1609396-34-0 |
| Catalog Number | AG00J3LK |
| Chemical Name | Benzenemethanamine, 3,4-dimethoxy-N-(2-methoxy-1-methylethyl)-, hydrobromide (1:1) |
| IUPAC Name | N-[(3,4-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine;hydrobromide |
| InChI | InChI=1S/C13H21NO3.BrH/c1-10(9-15-2)14-8-11-5-6-12(16-3)13(7-11)17-4;/h5-7,10,14H,8-9H2,1-4H3;1H |
| InChI Key | KZACVPWHEJQJAT-UHFFFAOYSA-N |
| MDL Number | MFCD13186416 |
| Molecular Formula | C13H22BrNO3 |
| Molecular Weight | 320.2227 |
| SMILES | COCC(NCc1ccc(c(c1)OC)OC)C.Br |
| Synonyms | N-(3,4-dimethoxybenzyl)-1-methoxy-2-propanamine hydrobromide,
1609396-34-0,
ZX-CM015760,
MFCD13186416,
137071-61-5,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number