| CAS Number | 1609399-83-8 |
| Catalog Number | AG00J3NF(AGN-PC-0WB7MD) |
| Chemical Name | [2-(3,4-dimethoxyphenyl)ethyl](2-pyridinylmethyl)amine hydrobromide |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine;hydrobromide |
| InChI | InChI=1S/C16H20N2O2.BrH/c1-19-15-7-6-13(11-16(15)20-2)8-10-17-12-14-5-3-4-9-18-14;/h3-7,9,11,17H,8,10,12H2,1-2H3;1H |
| InChI Key | FTNRWSUTLJNAKK-UHFFFAOYSA-N |
| MDL Number | MFCD13193974 |
| Molecular Formula | C16H21BrN2O2 |
| Molecular Weight | 353.2541 |
| SMILES | C1(OC)=CC(CCNCC2=CC=CC=N2)=CC=C1OC.Br |
| Synonyms | 1609399-83-8,
[2-(3,4-dimethoxyphenyl)ethyl](2-pyridinylmethyl)amine hydrobromide,
2-(3,4-Dimethoxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine hydrobromide,
ZX-CM015840,
MFCD13193974,
AKOS027426587,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.26g/mol |
| Monoisotopic Mass | 352.079g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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