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73353-26-1 | 2-Undecanol,1-[[3-(dimethylamino)propyl]amino]-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)-
CAS No: 73353-26-1 Catalog No: AG005EMV MDL No:
Product Description
Catalog Number:
AG005EMV
Chemical Name:
2-Undecanol,1-[[3-(dimethylamino)propyl]amino]-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)-
CAS Number:
73353-26-1
Molecular Formula:
C17H19F19N2O
Molecular Weight:
628.3152
IUPAC Name:
1-[3-(dimethylamino)propylamino]-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-2-ol
InChI:
InChI=1S/C17H19F19N2O/c1-38(2)5-3-4-37-7-8(39)6-9(18,19)11(21,22)13(25,26)15(29,30)14(27,28)12(23,24)10(20,16(31,32)33)17(34,35)36/h8,37,39H,3-7H2,1-2H3
InChI Key:
GCGAKPKICKLLED-UHFFFAOYSA-N
SMILES:
OC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CNCCCN(C)C
EC Number:
277-399-5
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
628.119g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
22
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
628.322g/mol
Monoisotopic Mass:
628.119g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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