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141496-31-3 | 1,8-Octanediamine, dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)- (9CI)
CAS No: 141496-31-3 Catalog No: AG001GI6 MDL No:
Product Description
Catalog Number:
AG001GI6
Chemical Name:
1,8-Octanediamine, dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)- (9CI)
CAS Number:
141496-31-3
Molecular Formula:
C12H4F24N2
Molecular Weight:
632.1352
IUPAC Name:
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine
InChI:
InChI=1S/C12H4F24N2/c13-3(14,1-2-37(9(25,26)27)10(28,29)30)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)38(11(31,32)33)12(34,35)36/h1-2H2
InChI Key:
YWFHPEPXPRKHQS-UHFFFAOYSA-N
SMILES:
FC(N(C(F)(F)F)CCC(C(C(C(C(C(N(C(F)(F)F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
782
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
631.999g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
26
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
632.14g/mol
Monoisotopic Mass:
631.999g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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