| CAS Number | 1609408-86-7 |
| Catalog Number | AG00J3PF(AGN-PC-0WB7W6) |
| Chemical Name | N-(2,3,4-Trimethoxybenzyl)cyclopentanamine hydrobromide |
| IUPAC Name | N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine;hydrobromide |
| InChI | InChI=1S/C15H23NO3.BrH/c1-17-13-9-8-11(14(18-2)15(13)19-3)10-16-12-6-4-5-7-12;/h8-9,12,16H,4-7,10H2,1-3H3;1H |
| InChI Key | HNAJZDJXOYOQAE-UHFFFAOYSA-N |
| MDL Number | MFCD13186518 |
| Molecular Formula | C15H24BrNO3 |
| Molecular Weight | 346.2600 |
| SMILES | COc1c(CNC2CCCC2)ccc(c1OC)OC.Br |
| Synonyms | N-(2,3,4-Trimethoxybenzyl)cyclopentanamine hydrobromide,
1609408-86-7,
ZX-CM015916,
MFCD13186518,
AKOS027426745,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.265g/mol |
| Monoisotopic Mass | 345.094g/mol |
| Rotatable Bond Count | 6 |
| 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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