Home Other Building Blocks 1-(piperazin-1-yl)but-3-en-1-one, trifluoroacetic acid

1-(piperazin-1-yl)but-3-en-1-one, trifluoroacetic acid

CAS No.:
1803601-22-0
Catalog Number:
AG01B81R
Molecular Formula:
C10H15F3N2O3
Molecular Weight:
268.2329
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Product Description
Catalog Number:
AG01B81R
Chemical Name:
1-(piperazin-1-yl)but-3-en-1-one, trifluoroacetic acid
CAS Number:
1803601-22-0
Molecular Formula:
C10H15F3N2O3
Molecular Weight:
268.2329
MDL Number:
MFCD28145606
IUPAC Name:
1-piperazin-1-ylbut-3-en-1-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C8H14N2O.C2HF3O2/c1-2-3-8(11)10-6-4-9-5-7-10;3-2(4,5)1(6)7/h2,9H,1,3-7H2;(H,6,7)
InChI Key:
AGAPSKIUTUUBSN-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.C=CCC(=O)N1CCNCC1
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.103g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
268.236g/mol
Monoisotopic Mass:
268.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties