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68047-07-4 | 4'-[2-(DIMETHYLAMINO)ETHOXY]-2-PHENYLBUTYROPHENONE
CAS No: 68047-07-4 Catalog No: AG006G9L MDL No:
Product Description
Catalog Number:
AG006G9L
Chemical Name:
4'-[2-(DIMETHYLAMINO)ETHOXY]-2-PHENYLBUTYROPHENONE
CAS Number:
68047-07-4
Molecular Formula:
C20H25NO2
Molecular Weight:
311.4180
IUPAC Name:
1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutan-1-one
InChI:
InChI=1S/C20H25NO2/c1-4-19(16-8-6-5-7-9-16)20(22)17-10-12-18(13-11-17)23-15-14-21(2)3/h5-13,19H,4,14-15H2,1-3H3
InChI Key:
OBBFYFBJWYPOQQ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(cc1)OCCN(C)C)c1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.425g/mol
Monoisotopic Mass:
311.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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