| CAS Number | 1609407-32-0 |
| Catalog Number | AG00J3OA(AGN-PC-0WRAY1) |
| Chemical Name | (2-pyridinylmethyl)(3,4,5-trimethoxybenzyl)amine hydrobromide |
| IUPAC Name | 1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine;hydrobromide |
| InChI | InChI=1S/C16H20N2O3.BrH/c1-19-14-8-12(9-15(20-2)16(14)21-3)10-17-11-13-6-4-5-7-18-13;/h4-9,17H,10-11H2,1-3H3;1H |
| InChI Key | OXPQQWKZSDRULE-UHFFFAOYSA-N |
| MDL Number | MFCD12025880 |
| Molecular Formula | C16H21BrN2O3 |
| Molecular Weight | 369.2535 |
| SMILES | C1(OC)=C(OC)C=C(C=C1OC)CNCC1=CC=CC=N1.Br |
| Synonyms | (2-pyridinylmethyl)(3,4,5-trimethoxybenzyl)amine hydrobromide,
1609407-32-0,
ZX-CM015873,
MFCD13194076,
331970-80-0,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.259g/mol |
| Monoisotopic Mass | 368.074g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number