Home Other Building Blocks 1-(2,6-dimethylpiperazin-1-yl)prop-2-en-1-one, trifluoroacetic acid

1-(2,6-dimethylpiperazin-1-yl)prop-2-en-1-one, trifluoroacetic acid

CAS No.:
1803599-57-6
Catalog Number:
AG01BA06
Molecular Formula:
C11H17F3N2O3
Molecular Weight:
282.2595
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Product Description
Catalog Number:
AG01BA06
Chemical Name:
1-(2,6-dimethylpiperazin-1-yl)prop-2-en-1-one, trifluoroacetic acid
CAS Number:
1803599-57-6
Molecular Formula:
C11H17F3N2O3
Molecular Weight:
282.2595
MDL Number:
MFCD28118657
IUPAC Name:
1-(2,6-dimethylpiperazin-1-yl)prop-2-en-1-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H16N2O.C2HF3O2/c1-4-9(12)11-7(2)5-10-6-8(11)3;3-2(4,5)1(6)7/h4,7-8,10H,1,5-6H2,2-3H3;(H,6,7)
InChI Key:
YCNNPSVIUSMTAO-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.C=CC(=O)N1C(C)CNCC1C
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.119g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.263g/mol
Monoisotopic Mass:
282.119g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties