3-anilino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile


Chemical Name: 3-anilino-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enenitrile
CAS Number: 30078-48-9
Product Number: AG00BCEA(AGN-PC-0JLNLS)
Synonyms:
MDL No: MFCD00269911
Molecular Formula: C19H20N2O3
Molecular Weight: 324.3737

Identification/Properties


Computed Properties
Molecular Weight:
324.38g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
324.147g/mol
Monoisotopic Mass:
324.147g/mol
Topological Polar Surface Area:
63.5A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
437
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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