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119312-73-1 | 1-Butanone, 2-(dimethylamino)-1-(4-methoxyphenyl)-2-(phenylmethyl)-
CAS No: 119312-73-1 Catalog No: AG000ILN MDL No:
Product Description
Catalog Number:
AG000ILN
Chemical Name:
1-Butanone, 2-(dimethylamino)-1-(4-methoxyphenyl)-2-(phenylmethyl)-
CAS Number:
119312-73-1
Molecular Formula:
C20H25NO2
Molecular Weight:
311.4180
IUPAC Name:
2-benzyl-2-(dimethylamino)-1-(4-methoxyphenyl)butan-1-one
InChI:
InChI=1S/C20H25NO2/c1-5-20(21(2)3,15-16-9-7-6-8-10-16)19(22)17-11-13-18(23-4)14-12-17/h6-14H,5,15H2,1-4H3
InChI Key:
GNUNNTARGVLMAK-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(cc1)OC)(N(C)C)Cc1ccccc1
Properties
Complexity:
368
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:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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