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116218-49-6

116218-49-6 | 2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4-dimethylphenyl)-

CAS No: 116218-49-6 Catalog No: AG000BYN MDL No:

Product Description

Catalog Number:
AG000BYN
Chemical Name:
2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4-dimethylphenyl)-
CAS Number:
116218-49-6
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
IUPAC Name:
2-[(dimethylamino)methyl]-1-(2,4-dimethylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C14H19NO/c1-10-6-7-13(11(2)8-10)14(16)12(3)9-15(4)5/h6-8H,3,9H2,1-2,4-5H3
InChI Key:
QXLQZLBNPTZMRK-UHFFFAOYSA-N
SMILES:
CN(CC(=C)C(=O)c1ccc(cc1C)C)C

Properties

Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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