| CAS Number | 53868-38-5 |
| Catalog Number | AG00D86U(AGN-PC-0SG4VO) |
| Chemical Name | 3-(Dimethylamino)-2-(p-tolyl)acrylaldehyde |
| IUPAC Name | 3-(dimethylamino)-2-(4-methylphenyl)prop-2-enal |
| InChI | InChI=1S/C12H15NO/c1-10-4-6-11(7-5-10)12(9-14)8-13(2)3/h4-9H,1-3H3 |
| InChI Key | HCAFJKINDHGUDS-UHFFFAOYSA-N |
| MDL Number | MFCD07366535 |
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.2536 |
| SMILES | O=CC(C1(=CC=C(C)C=C1))=CN(C)C |
| Synonyms | 53868-38-5,
3-(dimethylamino)-2-(4-methylphenyl)acrylaldehyde,
3-(Dimethylamino)-2-(4-methylphenyl)acrolein,
AC1OERHS,
3-(dimethylamino)-2-(4-methylphenyl)prop-2-enal,
SCHEMBL11066346,
CTK4J8890,
KS-00001RHK,
AKOS030242417,
DB-082570,
FT-0679985,
(Z)-3-(dimethylamino)-2-p-tolylacrylaldehyde,
Benzeneacetaldehyde, a-[(dimethylamino)methylene]-4-methyl-,
ZINC03883324,
CID7062064,
3-(Dimethylamino)-2-(p-tolyl)acrylaldehyde,
3-(N,N-Dimethylamino)-2-(4-methylphenyl)acrylaldehyde,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.258g/mol |
| Monoisotopic Mass | 189.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number