| CAS Number | 1247532-89-3 |
| Catalog Number | AG019TR0 |
| Chemical Name | [2-(Cyclopentyloxy)-4-methoxyphenyl]methanamine |
| IUPAC Name | (2-cyclopentyloxy-4-methoxyphenyl)methanamine |
| InChI | InChI=1S/C13H19NO2/c1-15-12-7-6-10(9-14)13(8-12)16-11-4-2-3-5-11/h6-8,11H,2-5,9,14H2,1H3 |
| InChI Key | MKELBHHNHHGOFB-UHFFFAOYSA-N |
| MDL Number | MFCD14607665 |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.2955 |
| SMILES | COC1=CC(OC2CCCC2)=C(CN)C=C1 |
| Synonyms | [2-(cyclopentyloxy)-4-methoxyphenyl]methanamine,
1247532-89-3,
ZINC40888158,
AKOS010519715,
MCULE-8209942711,
NE21307,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.3g/mol |
| Monoisotopic Mass | 221.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number