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206752-41-2 | Piperidinium, 1-[(1H-benzotriazol-1-yloxy)-1-piperidinylmethylene]-, hexafluorophosphate(1-) (1:1)
CAS No: 206752-41-2 Catalog No: AG002EUX MDL No:MFCD00191769
Product Description
Catalog Number:
AG002EUX
Chemical Name:
Piperidinium, 1-[(1H-benzotriazol-1-yloxy)-1-piperidinylmethylene]-, hexafluorophosphate(1-) (1:1)
CAS Number:
206752-41-2
Molecular Formula:
C17H24F6N5OP
Molecular Weight:
459.3695
MDL Number:
MFCD00191769
IUPAC Name:
1-[piperidin-1-ium-1-ylidene(piperidin-1-yl)methoxy]benzotriazole;hexafluorophosphate
InChI:
InChI=1S/C17H24N5O.F6P/c1-5-11-20(12-6-1)17(21-13-7-2-8-14-21)23-22-16-10-4-3-9-15(16)18-19-22;1-7(2,3,4,5)6/h3-4,9-10H,1-2,5-8,11-14H2;/q+1;-1
InChI Key:
YNOBMGHLCWIWCL-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)C(=[N+]1CCCCC1)On1nnc2c1cccc2.F[P-](F)(F)(F)(F)F
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.162g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.377g/mol
Monoisotopic Mass:
459.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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