| CAS Number | 1609407-77-3 |
| Catalog Number | AG00J3NW(AGN-PC-0WRAXU) |
| Chemical Name | N-(2-methoxybenzyl)-3-pentanamine hydrobromide |
| IUPAC Name | N-[(2-methoxyphenyl)methyl]pentan-3-amine;hydrobromide |
| InChI | InChI=1S/C13H21NO.BrH/c1-4-12(5-2)14-10-11-8-6-7-9-13(11)15-3;/h6-9,12,14H,4-5,10H2,1-3H3;1H |
| InChI Key | IKDSUKFFIUVDSK-UHFFFAOYSA-N |
| MDL Number | MFCD13186511 |
| Molecular Formula | C13H22BrNO |
| Molecular Weight | 288.2239 |
| SMILES | C1(=CC=CC=C1OC)CNC(CC)CC.Br |
| Synonyms | N-(2-methoxybenzyl)-3-pentanamine hydrobromide,
1609407-77-3,
ZX-CM015904,
MFCD13186511,
355382-11-5,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.229g/mol |
| Monoisotopic Mass | 287.088g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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