| CAS Number | 143462-35-5 |
| Catalog Number | AG007YVB(AGN-PC-003ENJ) |
| Chemical Name | 2-(Benzyloxy)-3-(dimethylamino)acrylaldehyde |
| IUPAC Name | (E)-3-(dimethylamino)-2-phenylmethoxyprop-2-enal |
| InChI | InChI=1S/C12H15NO2/c1-13(2)8-12(9-14)15-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b12-8+ |
| InChI Key | YPUSLQFSBBYBCE-XYOKQWHBSA-N |
| MDL Number | MFCD12923221 |
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.2530 |
| SMILES | CN(C)C=C(OCc1ccccc1)C=O |
| Synonyms | 143462-35-5,
2-Benzyloxy-3-(dimethylamino)acrolein,
2-(Benzyloxy)-3-(dimethylamino)acrylaldehyde,
(E)-2-(benzyloxy)-3-(dimethylamino)acrylaldehyde,
PubChem21569,
(E)-3-(dimethylamino)-2-phenylmethoxyprop-2-enal,
SCHEMBL2393858,
DTXSID10567174,
MFCD12923221,
ZINC34437519,
AKOS016007391,
AJ-88547,
AX8217002,
TC-160793,
CS-0061705,
(2E)-2-(Benzyloxy)-3-(dimethylamino)prop-2-enal,
2-Benzyl-3-(dimethylamino)acrolein,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 205.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.257g/mol |
| Monoisotopic Mass | 205.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number