| CAS Number | 39806-13-8 |
| Catalog Number | AG01C1UB(AGN-PC-0O9WGB) |
| Chemical Name | ethyl 3-[4-(dimethylamino)phenyl]prop-2-enoate |
| IUPAC Name | ethyl 3-[4-(dimethylamino)phenyl]prop-2-enoate |
| InChI | InChI=1S/C13H17NO2/c1-4-16-13(15)10-7-11-5-8-12(9-6-11)14(2)3/h5-10H,4H2,1-3H3 |
| InChI Key | MNUCAAWKJBVDCA-UHFFFAOYSA-N |
| MDL Number | MFCD00598750 |
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.2796 |
| SMILES | CN(C1=CC=C(C=C1)/C=C/C(=O)OCC)C |
| Synonyms | ethyl 3-[4-(dimethylamino)phenyl]prop-2-enoate,
39806-13-8,
MNUCAAWKJBVDCA-UHFFFAOYSA-N,
AKOS034080532,
ethyl 3-(4-dimethylaminophenyl)prop-2-enoate,
Z292279092,
CID367199,
NSC636697,
3-[4-(diethylamino)phenyl]prop-2-enoic acid,
1552-97-2,
2-Propenoic acid, 3-[4-(dimethylamino)phenyl]-, ethyl ester, (2Z)-,
528521-91-7,
AC1L7UF4,
ethyl 4-dimethylaminocinnamate,
SCHEMBL10851526,
CTK1G1934,
CTK6F4377,
DTXSID40327182,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.284g/mol |
| Monoisotopic Mass | 219.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number