2-Propenoic acid, 2-cyano-3-[4-(dimethylamino)phenyl]-, ethyl ester


Chemical Name: 2-Propenoic acid, 2-cyano-3-[4-(dimethylamino)phenyl]-, ethyl ester
CAS Number: 1886-52-8
Product Number: AG002H23(AGN-PC-0JOGRM)
Synonyms:
MDL No:
Molecular Formula: C14H16N2O2
Molecular Weight: 244.2890

Identification/Properties


Computed Properties
Molecular Weight:
244.294g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
244.121g/mol
Monoisotopic Mass:
244.121g/mol
Topological Polar Surface Area:
53.3A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
357
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H317
Precautionary Statements:
P261-P264-P270-P272-P280-P301+P312-P302+P352-P321-P330-P333+P313-P363-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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