| CAS Number | 628305-90-8 |
| Catalog Number | AG00EV50(AGN-PC-04PR3S) |
| Chemical Name | 1-(3-[2-(Dimethylamino)ethoxy]phenyl)ethan-1-one |
| IUPAC Name | 1-[3-[2-(dimethylamino)ethoxy]phenyl]ethanone |
| InChI | InChI=1S/C12H17NO2/c1-10(14)11-5-4-6-12(9-11)15-8-7-13(2)3/h4-6,9H,7-8H2,1-3H3 |
| InChI Key | XHHBWAMNZNCRKG-UHFFFAOYSA-N |
| MDL Number | MFCD09948588 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | CN(CCOC1=CC(C(C)=O)=CC=C1)C |
| Synonyms | 1-{3-[2-(dimethylamino)ethoxy]phenyl}ethan-1-one,
628305-90-8,
AC1Q3WWN,
1-{3-[2-(dimethylamino)ethoxy]phenyl}ethanone,
SCHEMBL4846612,
CTK6I1140,
ZINC19514720,
AKOS000193501,
MCULE-4514982439,
NE24257,
EN300-58934,
Ethanone, 1-[3-[2-(dimethylamino)ethoxy]phenyl]-,
Z427283814,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number