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67584-54-7 | N-(3-(Dimethylamino)propyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonamide
CAS No: 67584-54-7 Catalog No: AG0036LX MDL No:
Product Description
Catalog Number:
AG0036LX
Chemical Name:
N-(3-(Dimethylamino)propyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonamide
CAS Number:
67584-54-7
Molecular Formula:
C12H13F15N2O2S
Molecular Weight:
534.2849
IUPAC Name:
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide
InChI:
InChI=1S/C12H13F15N2O2S/c1-29(2)5-3-4-28-32(30,31)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25/h28H,3-5H2,1-2H3
InChI Key:
RFJQYRXZGNILIY-UHFFFAOYSA-N
SMILES:
CN(CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C
EC Number:
266-731-4
Properties
Complexity:
755
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.046g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
534.284g/mol
Monoisotopic Mass:
534.046g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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