Chemical : N,N'-[Ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(N,N-dimethylethan-1-aminium) diiodide
Casrn : 109495-27-4 |
MolName : N,N'-[Ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(N,N-dimethylethan-1-aminium) diiodide |
MolecularFormula : I.I.C14H34N2O2 |
Smiles : CC[N+](C)(C)CCOCCOCC[N+](C)(C)CC.[I-].[I-] |
InChI : InChI=1S/C14H34N2O2.2HI/c1-7-15(3,4)9-11-17-13-14-18-12-10-16(5,6)8-2;;/h7-14H2,1-6H3;2*1H/q+2;;/p-2 |
InChIK : FOLBUQAPWBHXGE-UHFFFAOYSA-L |
CanonicalSyTyLFy : 596a681e3197d817 |
TotalMolweight : 516.236 |
Molweight : 262.436 |
MonoisotopicMass : 262.262028 |
CLogP : -5.6838 |
CLogS : 0.858 |
H Acceptors : 4 |
TotalSurfaceArea : 228.9 |
Relative PSA : 0.020795 |
PolarSurfaceArea : 18.46 |
Druglikeness : -11.976 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : high |
Nasty Functions : quart. ammonium |
Shape Index : 0.77778 |
Molecula Flexibility : 0.79835 |
Molecular Complexity : 0.36642 |
Fragments : 3 |
Non HAtoms : 18 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 11 |
Sp3Atoms : 18 |
Symmetricatoms : 10 |
Amines : 2 |
AlkylAmines : 2 |
StereoCon : |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 10-35-5 | none | none | none | C4H6O2BrF | 184.992 | -23.473 |
| 1000018-52-9 | none | none | none | C11H12N2O2S2 | 268.36 | 1.3179 |
| 1000018-56-3 | none | none | none | C7H4N3O2Br | 242.032 | -0.39052 |
| 1000025-92-2 | none | none | none | C20H16N2O2 | 316.359 | -6.3825 |
| 1000-28-8 | none | none | none | C6H3OF11 | 300.067 | -44.343 |
| 100001-06-7 | none | none | none | I.C20H28NO | 298.448 | -2.3411 |
| 100004-80-6 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
| 1000018-58-5 | none | none | none | C6H4NBr2Cl | 285.366 | -3.6 |
| 10003-67-5 | none | none | none | C33H62O6 | 554.849 | -22.973 |
| 100004-95-3 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
| 100-50-5 | none | none | high | C7H10O | 110.155 | -9.6048 |
| 10-13-2009 | none | none | none | C15H14O5 | 274.271 | -1.4702 |
| 1000269-66-8 | none | none | none | C12H20N4 | 220.319 | 0.5423 |
| 100-66-3 | high | none | high | C7H8O | 108.14 | -2.0846 |
| 100-57-2 | high | low | low | C6H6OHg | 294.703 | -2.3891 |
| 100-77-6 | none | none | none | C6H4N2Cl.Cl | 139.565 | -4.1248 |
| 1000198-80-0 | none | none | none | C11H14NF | 179.237 | -0.04876 |
| 1000152-84-0 | none | none | none | C6H2NBr2F3 | 304.891 | -10.75 |
| 100-44-7 | high | high | none | C7H7Cl | 126.586 | -2.365 |
| 100-10-7 | none | high | high | C9H11NO | 149.192 | -1.8715 |
| 10001-82-8 | none | none | none | C24H26N4O5S | 482.559 | 9.4242 |
| 100-21-0 | high | none | high | C8H6O4 | 166.132 | -1.8442 |
| 100-27-6 | low | none | none | C8H9NO3 | 167.163 | -9.2735 |
| 100-82-3 | none | none | none | C7H8NF | 125.146 | -3.4112 |
| 100-56-1 | high | low | low | C6H5ClHg | 313.149 | -2.3575 |
| 1000-58-4 | high | high | high | C4H8Cl4Si | 226.006 | -54.611 |
| 100-79-8 | none | low | none | C6H12O3 | 132.158 | -9.8672 |
| 1000018-39-2 | high | high | low | C13H20N2O2S | 268.38 | 1.9315 |
| 10000-51-8 | none | none | none | C14H15NO3 | 245.277 | 0.10503 |
| 1000339-51-4 | none | none | none | C7H4NO4F | 185.11 | -8.2861 |
| 100021-85-0 | none | high | high | H3O4P.C16H32O2.C2H8N2 | 256.428 | -25.216 |
| 100-68-5 | none | none | none | C7H8S | 124.207 | -1.735 |
| 100019-64-5 | none | none | none | C9H10N2O7FP | 308.157 | -34.083 |
| 100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 |
| 10001-13-5 | none | none | high | C12H22N2O | 210.32 | 3.9217 |
| 10002-30-9 | none | none | none | C12H9NOS | 215.275 | 0.083087 |
| 100033-28-1 | low | none | high | C6H9N7 | 179.186 | -2.3035 |
| 100016-58-8 | none | high | none | C19H19NO5 | 341.362 | 1.8385 |
| 100-93-6 | high | high | high | C19H18N2O2S | 338.43 | -12.848 |
| 100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 |
| 100-99-2 | none | none | low | C12H27Al | 198.328 | -22.009 |
| 1000010-11-6 | none | none | none | C28H44N2O2 | 440.669 | -21.689 |
| 100004-92-0 | none | none | none | C16H11NO2 | 249.268 | -1.5746 |
| 1000018-50-7 | none | none | none | C13H16N2O4 | 264.28 | -7.3568 |
| 1000339-54-7 | none | none | none | C9H7O2F3 | 204.147 | -11.176 |
| 1000018-59-6 | none | none | low | C10H15O2BrS | 279.197 | -14.078 |
| 100-39-0 | high | high | none | C7H7Br | 171.037 | -7.8241 |
| 1000018-71-2 | none | none | high | C14H19N3O4 | 293.322 | -2.5213 |
| 100027-33-6 | none | none | none | I.C21H27N2O | 323.458 | 3.6949 |
| 100002-29-7 | none | none | none | C12H18N2O3 | 238.286 | 2.8956 |
| 1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 |
| 10003-73-3 | none | none | none | HCl.C7H10N2 | 122.17 | -2.0712 |
| 1000-77-7 | high | high | none | HCl.C6H15NO6S2 | 261.318 | 1.5333 |
| 100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 |
| 10001-08-8 | none | none | high | C11H22N2O | 198.309 | -3.1037 |
| 1000068-23-4 | none | low | none | C14H18NO5B | 291.11 | -44.603 |
| 1000335-27-2 | none | none | none | C10H15N4OCl | 242.709 | 0.81574 |
| 100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 |
| 100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 |
| 1000339-26-3 | none | none | none | C14H7N2OBrCl2 | 370.033 | -0.59356 |
2 Click to Load Molecule - N,N'-[Ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(N,N-dimethylethan-1-aminium) diiodide
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