N-cyclohexyl-N'-2-morpholinoethyl-carbodiimide-methyl-4-toluolsulfonate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 4
PubChem 164081
Molecular Formula

C21H36N3O4S+

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1(CCOCC1)CCN=C(C2CCCCC2)N

InChI

InChI=1S/C14H28N3O.C7H8O3S/c1-17(9-11-18-12-10-17)8-7-16-14(15)13-5-3-2-4-6-13;1-6-2-4-7(5-3-6)11(8,9)10/h13H,2-12H2,1H3,(H2,15,16);2-5H,1H3,(H,8,9,10)/q+1;

synonyms
  • Cmc-cdi
  • 118845-97-9
  • 4-Morpholineethanamine, N-(cyclohexylcarbonimidoyl)-, comdp. with 4-methylbenzenesulfonate (1:1)
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Properties
Property Value
MW 426.6 g/mol
HBD 2
HBA 5
Rotatable Bond Count 5
Exact Mass 426.24265281 g/mol
Monoisotopic Mass 426.24265281 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 2
Complexity 485
xlogp None
Topological Polar Surface Area 110