| CAS Number | 1184458-35-2 |
| Catalog Number | AG01AIQC |
| Chemical Name | [2-(4-methoxyphenyl)ethyl](3-methoxypropyl)amine |
| IUPAC Name | 3-methoxy-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine |
| InChI | InChI=1S/C13H21NO2/c1-15-11-3-9-14-10-8-12-4-6-13(16-2)7-5-12/h4-7,14H,3,8-11H2,1-2H3 |
| InChI Key | RAGCLSQXQBQFRG-UHFFFAOYSA-N |
| MDL Number | MFCD12798383 |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.3113 |
| SMILES | COCCCNCCC1=CC=C(OC)C=C1 |
| Synonyms | [2-(4-methoxyphenyl)ethyl](3-methoxypropyl)amine,
1184458-35-2,
ZINC37495811,
AKOS005300987,
MCULE-1861220598,
NE47395,
EN300-78741,
Z137849578,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.316g/mol |
| Monoisotopic Mass | 223.157g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number