Free Chemical Databases
-
[Synonyms]
NSC254520
26739-53-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 343.54774 [g/mol] Molecular Formula C19H41N3O2 H-Bond Donor 4 H-Bond Acceptor 5 Rotatable Bond Count 16 Exact Mass 343.319878 MonoIsotopic Mass 343.319878 Topological Polar Surface Area 113 Heavy Atom Count 24 Formal Charge 0 Complexity 228 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 2
[ Descriptors Computed from Structure]
IUPAC Name: guanidine; octadecanoic acid
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(=N)(N)N
InChI: InChI=1/C18H36O2.CH5N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)
20;2-1(3)4/h2-17H2,1H3,(H,19,20);(H5,2,3,4)/f/h19H;2H,3-4H2
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