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1403767-15-6 | Piperazine, 1-(tetrahydro-3-furanyl)-, 2,2,2-trifluoroacetate (1:2)
CAS No: 1403767-15-6 Catalog No: AG001CAJ MDL No:MFCD23106360
Product Description
Catalog Number:
AG001CAJ
Chemical Name:
Piperazine, 1-(tetrahydro-3-furanyl)-, 2,2,2-trifluoroacetate (1:2)
CAS Number:
1403767-15-6
Molecular Formula:
C12H18F6N2O5
Molecular Weight:
384.2721
MDL Number:
MFCD23106360
IUPAC Name:
1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C8H16N2O.2C2HF3O2/c1-6-11-7-8(1)10-4-2-9-3-5-10;2*3-2(4,5)1(6)7/h8-9H,1-7H2;2*(H,6,7)
InChI Key:
DFWYBQJCWVDSEB-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)C1COCC1.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.112g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
384.275g/mol
Monoisotopic Mass:
384.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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