| CAS Number | 1609400-59-0 |
| Catalog Number | AG00J3M0 |
| Chemical Name | N-(2,3,4-trimethoxybenzyl)-3-pentanamine hydrobromide |
| IUPAC Name | N-[(2,3,4-trimethoxyphenyl)methyl]pentan-3-amine;hydrobromide |
| InChI | InChI=1S/C15H25NO3.BrH/c1-6-12(7-2)16-10-11-8-9-13(17-3)15(19-5)14(11)18-4;/h8-9,12,16H,6-7,10H2,1-5H3;1H |
| InChI Key | ZGKSHPCBUTVXFM-UHFFFAOYSA-N |
| MDL Number | MFCD13186434 |
| Molecular Formula | C15H26BrNO3 |
| Molecular Weight | 348.2758 |
| SMILES | C1(OC)C(OC)=CC=C(CNC(CC)CC)C=1OC.Br |
| Synonyms | N-(2,3,4-trimethoxybenzyl)-3-pentanamine hydrobromide,
1609400-59-0,
ZX-CM015789,
MFCD13186434,
355816-06-7,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.281g/mol |
| Monoisotopic Mass | 347.11g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 39.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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