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119313-08-5

119313-08-5 | 1-Butanone, 2-(dimethylamino)-1-[4-(dimethylamino)phenyl]-2-(phenylmethyl)-

CAS No: 119313-08-5 Catalog No: AG000ILK MDL No:

Product Description

Catalog Number:
AG000ILK
Chemical Name:
1-Butanone, 2-(dimethylamino)-1-[4-(dimethylamino)phenyl]-2-(phenylmethyl)-
CAS Number:
119313-08-5
Molecular Formula:
C21H28N2O
Molecular Weight:
324.4598
IUPAC Name:
2-benzyl-2-(dimethylamino)-1-[4-(dimethylamino)phenyl]butan-1-one
InChI:
InChI=1S/C21H28N2O/c1-6-21(23(4)5,16-17-10-8-7-9-11-17)20(24)18-12-14-19(15-13-18)22(2)3/h7-15H,6,16H2,1-5H3
InChI Key:
UKUFGRPPIQNBNU-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(cc1)N(C)C)(N(C)C)Cc1ccccc1

Properties

Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.22g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.468g/mol
Monoisotopic Mass:
324.22g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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