| CAS Number | 1016710-62-5 |
| Catalog Number | AG019UMC |
| Chemical Name | 1-[3-methoxy-4-(pentyloxy)phenyl]ethan-1-amine |
| IUPAC Name | 1-(3-methoxy-4-pentoxyphenyl)ethanamine |
| InChI | InChI=1S/C14H23NO2/c1-4-5-6-9-17-13-8-7-12(11(2)15)10-14(13)16-3/h7-8,10-11H,4-6,9,15H2,1-3H3 |
| InChI Key | CFPBLCKRJQHYRM-UHFFFAOYSA-N |
| MDL Number | MFCD09814435 |
| Molecular Formula | C14H23NO2 |
| Molecular Weight | 237.3379 |
| SMILES | CCCCCOC1=C(OC)C=C(C(N)C)C=C1 |
| Synonyms | 1-[3-methoxy-4-(pentyloxy)phenyl]ethan-1-amine,
1016710-62-5,
AC1Q2WN5,
CTK6E1641,
AKOS000148792,
AKOS016902849,
MCULE-5827764016,
NE32374,
EN300-42122,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.343g/mol |
| Monoisotopic Mass | 237.173g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number