| CAS Number | 1344349-87-6 |
| Catalog Number | AG01A392 |
| Chemical Name | 1-(4-methoxyphenyl)-1-(pyrrolidin-2-yl)ethan-1-ol |
| IUPAC Name | 1-(4-methoxyphenyl)-1-pyrrolidin-2-ylethanol |
| InChI | InChI=1S/C13H19NO2/c1-13(15,12-4-3-9-14-12)10-5-7-11(16-2)8-6-10/h5-8,12,14-15H,3-4,9H2,1-2H3 |
| InChI Key | XAJLILFYLVEXSH-UHFFFAOYSA-N |
| MDL Number | MFCD19649112 |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.2955 |
| SMILES | COC1=CC=C(C(C2NCCC2)(O)C)C=C1 |
| Synonyms | 1-(4-methoxyphenyl)-1-(pyrrolidin-2-yl)ethan-1-ol,
1344349-87-6,
AKOS013407645,
NE59281,
Z1891776222,
|
| Complexity | 226 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.3g/mol |
| Monoisotopic Mass | 221.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number