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119313-07-4 | 4-Penten-1-one, 2-ethyl-2-(4-morpholinyl)-1-[4-(4-morpholinyl)phenyl]-
CAS No: 119313-07-4 Catalog No: AG000ILL MDL No:
Product Description
Catalog Number:
AG000ILL
Chemical Name:
4-Penten-1-one, 2-ethyl-2-(4-morpholinyl)-1-[4-(4-morpholinyl)phenyl]-
CAS Number:
119313-07-4
Molecular Formula:
C21H30N2O3
Molecular Weight:
358.4745
IUPAC Name:
2-ethyl-2-morpholin-4-yl-1-(4-morpholin-4-ylphenyl)pent-4-en-1-one
InChI:
InChI=1S/C21H30N2O3/c1-3-9-21(4-2,23-12-16-26-17-13-23)20(24)18-5-7-19(8-6-18)22-10-14-25-15-11-22/h3,5-8H,1,4,9-17H2,2H3
InChI Key:
OMCGVTYMISOXDX-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)c1ccc(cc1)N1CCOCC1)(N1CCOCC1)CC
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.226g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.482g/mol
Monoisotopic Mass:
358.226g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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