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119313-03-0 | 4-Penten-1-one, 2-(dimethylamino)-2-ethyl-1-[4-(4-morpholinyl)phenyl]-
CAS No: 119313-03-0 Catalog No: AG000ILM MDL No:
Product Description
Catalog Number:
AG000ILM
Chemical Name:
4-Penten-1-one, 2-(dimethylamino)-2-ethyl-1-[4-(4-morpholinyl)phenyl]-
CAS Number:
119313-03-0
Molecular Formula:
C19H28N2O2
Molecular Weight:
316.4378
IUPAC Name:
2-(dimethylamino)-2-ethyl-1-(4-morpholin-4-ylphenyl)pent-4-en-1-one
InChI:
InChI=1S/C19H28N2O2/c1-5-11-19(6-2,20(3)4)18(22)16-7-9-17(10-8-16)21-12-14-23-15-13-21/h5,7-10H,1,6,11-15H2,2-4H3
InChI Key:
GNXSFUKPIIQAFP-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)c1ccc(cc1)N1CCOCC1)(N(C)C)CC
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.215g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.445g/mol
Monoisotopic Mass:
316.215g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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