Chemical : 2-{2-[Ethyl(dimethyl)azaniumyl]ethoxy}-N,N,N-trimethylethan-1-aminium diiodide
Casrn : 63981-98-6 |
MolName : 2-{2-[Ethyl(dimethyl)azaniumyl]ethoxy}-N,N,N-trimethylethan-1-aminium diiodide |
MolecularFormula : I.I.C11H28N2O |
Smiles : CC[N+](C)(C)CCOCC[N+](C)(C)C.[I-].[I-] |
InChI : InChI=1S/C11H28N2O.2HI/c1-7-13(5,6)9-11-14-10-8-12(2,3)4;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2 |
InChIK : XXLCXPJFZSMOBW-UHFFFAOYSA-L |
CanonicalSyTyLFy : b8920736c653a923 |
TotalMolweight : 458.156 |
Molweight : 204.356 |
MonoisotopicMass : 204.220163 |
CLogP : -5.9976 |
CLogS : 1.079 |
H Acceptors : 3 |
TotalSurfaceArea : 177.62 |
Relative PSA : -0.029501 |
PolarSurfaceArea : 9.23 |
Druglikeness : -2.4706 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : quart. ammonium |
Shape Index : 0.71429 |
Molecula Flexibility : 0.81847 |
Molecular Complexity : 0.34657 |
Fragments : 3 |
Non HAtoms : 14 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 7 |
Sp3Atoms : 14 |
Symmetricatoms : 3 |
Amines : 2 |
AlkylAmines : 2 |
StereoCon : |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 1000284-53-6 | none | none | high | C18H36O2 | 284.482 | -15.583 |
| 100004-81-7 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
| 100-17-4 | none | none | none | C7H7NO3 | 153.137 | -7.2945 |
| 100-99-2 | none | none | low | C12H27Al | 198.328 | -22.009 |
| 1000-67-5 | none | none | high | C4H9O4S.Na | 153.177 | -10.412 |
| 100031-76-3 | none | none | none | C30H44NO8P | 577.652 | -46.719 |
| 1000160-96-2 | none | none | none | C24H28N2O3.C2H4O2 | 392.497 | 1.9926 |
| 100017-22-9 | high | high | high | C5H8O2 | 100.117 | -8.1063 |
| 1000339-34-3 | none | none | none | C11H12N3OBr | 282.14 | -5.9074 |
| 1000000-13-4 | high | high | high | C21H28O12 | 472.441 | -0.17986 |
| 100003-81-4 | high | high | none | C8H7N2OClS | 214.676 | 1.4208 |
| 1000-86-8 | none | none | none | C7H12 | 96.1723 | -10.397 |
| 100021-05-4 | none | none | none | C21H28O2 | 312.451 | 0.95307 |
| 100033-28-1 | low | none | high | C6H9N7 | 179.186 | -2.3035 |
| 100-22-1 | high | high | none | C10H16N2 | 164.251 | 0.40939 |
| 1000198-76-4 | none | none | none | C11H12NF3 | 215.217 | -5.8988 |
| 100-14-1 | high | high | low | C7H6NO2Cl | 171.583 | -7.5061 |
| 1000068-23-4 | none | low | none | C14H18NO5B | 291.11 | -44.603 |
| 100-69-6 | none | none | none | C7H7N | 105.14 | -4.4598 |
| 100-55-0 | none | none | none | C6H7NO | 109.128 | -1.9045 |
| 100-67-4 | none | none | none | K.C6H5O | 93.1047 | -2.2548 |
| 1000018-52-9 | none | none | none | C11H12N2O2S2 | 268.36 | 1.3179 |
| 100005-01-4 | none | none | high | C8H21BrSSi2 | 285.397 | -52.815 |
| 100007-54-3 | none | none | none | C28H30O13 | 574.533 | -1.9839 |
| 1000068-42-7 | none | none | none | C10H11NO3BrFS | 324.169 | -2.2263 |
| 100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 |
| 10002-37-6 | none | none | none | C9H16N2O | 168.239 | -3.8085 |
| 1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 |
| 100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 |
| 10-18-2004 | none | none | none | C6H8OS2 | 160.261 | -3.1913 |
| 100-10-7 | none | high | high | C9H11NO | 149.192 | -1.8715 |
| 100016-73-7 | high | high | high | C6H5OCl.C10H16O.CH2O | 152.236 | -3.7075 |
| 100005-44-5 | high | none | low | C7H5O2ClS | 188.634 | -11.771 |
| 1000-44-8 | high | high | low | C7H7Cl | 126.586 | -8.5908 |
| 10-35-5 | none | none | none | C4H6O2BrF | 184.992 | -23.473 |
| 100-33-4 | none | none | none | C19H24N4O2 | 340.426 | -7.2784 |
| 1000-00-6 | none | none | high | C10H26OSi2 | 218.487 | -62.76 |
| 100-50-5 | none | none | high | C7H10O | 110.155 | -9.6048 |
| 1000025-92-2 | none | none | none | C20H16N2O2 | 316.359 | -6.3825 |
| 100020-83-5 | none | none | low | C7H11O3B | 153.972 | -20.814 |
| 10001-08-8 | none | none | high | C11H22N2O | 198.309 | -3.1037 |
| 100-11-8 | low | high | none | C7H6NO2Br | 216.034 | -13.162 |
| 100-82-3 | none | none | none | C7H8NF | 125.146 | -3.4112 |
| 100010-02-4 | none | none | none | C14H23NO | 221.343 | -6.1109 |
| 100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 |
| 1000339-22-9 | none | none | none | C8H5NO4F2 | 217.127 | -8.0943 |
| 1000289-40-6 | none | none | none | C7H4N2Br2S | 307.997 | -2.2608 |
| 100-49-2 | none | none | none | C7H14O | 114.187 | -9.3679 |
| 100-83-4 | high | none | low | C7H6O2 | 122.123 | -4.1407 |
| 1000018-25-6 | none | none | none | C13H24N2O6S | 336.408 | -32.405 |
| 100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 |
| 100010-00-2 | none | none | none | C20H23NO5 | 357.405 | -3.7157 |
| 100-51-6 | high | high | high | C7H8O | 108.14 | -2.2456 |
| 100-74-3 | high | none | high | C6H13NO | 115.175 | 3.7593 |
| 100-34-5 | none | none | none | Cl.C6H5N2 | 105.12 | -4.365 |
| 100-77-6 | none | none | none | C6H4N2Cl.Cl | 139.565 | -4.1248 |
| 100018-96-0 | high | high | none | C20H39O2I | 438.428 | -31.232 |
| 1000-36-8 | none | none | none | C11H25O3P | 236.29 | -27.011 |
| 100010-21-7 | none | none | none | C14H21NO | 219.327 | -4.2999 |
| 1000198-80-0 | none | none | none | C11H14NF | 179.237 | -0.04876 |
2 Click to Load Molecule - 2-{2-[Ethyl(dimethyl)azaniumyl]ethoxy}-N,N,N-trimethylethan-1-aminium diiodide
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