| CAS Number | 938368-56-0 |
| Catalog Number | AG019V6E |
| Chemical Name | 4-[2-(dimethylamino)ethoxy]-3-methoxybenzonitrile |
| IUPAC Name | 4-[2-(dimethylamino)ethoxy]-3-methoxybenzonitrile |
| InChI | InChI=1S/C12H16N2O2/c1-14(2)6-7-16-11-5-4-10(9-13)8-12(11)15-3/h4-5,8H,6-7H2,1-3H3 |
| InChI Key | RCUCEBNAIPYRHF-UHFFFAOYSA-N |
| MDL Number | MFCD09717755 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | COC1=C(OCCN(C)C)C=CC(C#N)=C1 |
| Synonyms | 4-[2-(dimethylamino)ethoxy]-3-methoxybenzonitrile,
EN300-43877,
938368-56-0,
AC1Q479Q,
CTK6J5188,
ZINC11798692,
AKOS000188868,
MCULE-4597807895,
NE19945,
BC659055,
AB01006744-01,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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