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119313-12-1 | 1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)-
CAS No: 119313-12-1 Catalog No: AG000ILJ MDL No:MFCD00191775
Product Description
Catalog Number:
AG000ILJ
Chemical Name:
1-Butanone, 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)-
CAS Number:
119313-12-1
Molecular Formula:
C23H30N2O2
Molecular Weight:
366.4965
MDL Number:
MFCD00191775
IUPAC Name:
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one
InChI:
InChI=1S/C23H30N2O2/c1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3
InChI Key:
UHFFVFAKEGKNAQ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(cc1)N1CCOCC1)(N(C)C)Cc1ccccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.231g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.505g/mol
Monoisotopic Mass:
366.231g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Determination of low-level ink photoinitiator residues in packaged milk by solid-phase extraction and LC-ESI/MS/MS using triple-quadrupole mass analyzer. | Analytical and bioanalytical chemistry 20091201 |
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