Domiphen bromide
CAS Number: 538-71-6
Molecular Mass: 414.5 g/mol
Formula: C22H40BrNO
Smiles: CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1.[Br-]
Synonymes:
Domiphen bromide, domiphen bromide, 538-71-6, Oradol, Phenododecinium bromide, 1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide, Bromuro de domifeno, Bromure de domiphene, NSC-39415, Domipheni bromidum, R4CY19YS7C, Dodecyldimethyl(2-phenoxyethyl)ammonium bromide, DTXSID5033468, DTXCID3013468, domifene bromuro, RefChem:590363, A01AB06, NSC39415, 208-702-0, Domiphen (bromide), N,N-dimethyl-N-(2-phenoxyethyl)dodecan-1-aminium bromide, MFCD00011769, (Dodecyldimethyl-2-phenoxyethyl)ammonium bromide, NCGC00091010-01, Bradasol, Bradonit, Bradoral, Fungitex, Bradosol bromide, Fungitex R, dodecyldimethyl(2-phenoxyethyl)azanium bromide, 1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide (1:1), CAS-538-71-6, dodecyldimethyl(2-phenoxyethyl)amine, bromide, Domipheni bromidum [INN-Latin], HSDB 7236, Bromure de domiphene [INN-French], Bromuro de domifeno [INN-Spanish], NCGC00091010-03, EINECS 208-702-0, C22H40BrNO, UNII-R4CY19YS7C, Bradosol, beta-Phenoxyethyldimethyldodecylammonium bromide, Ammonium bromide, dodecyldimethyl(2-phenoxyethyl)-, Oradol (TN), Domiphen bromide [USAN:INN:BAN:JAN], Domiphen bromide, 97%, 538-71-6 (Br), Dodecyldimethyl (2-phenoxyethyl) ammonium bromide, DOMIPHEN BROMIDE [MI], SCHEMBL117152, Ammonium, dimethyldodecyl(2-phenoxyethyl)-, bromide, Ammonium, dodecyldimethyl(2-phenoxyethyl)-, bromide, DOMIPHEN BROMIDE [INN], DOMIPHEN BROMIDE [JAN], CHEMBL486696, DOMIPHEN BROMIDE [HSDB], DOMIPHEN BROMIDE [USAN], DOMIPHEN BROMIDE [VANDF], CHEBI:31514, DOMIPHEN BROMIDE [MART.], DOMIPHEN BROMIDE [WHO-DD], HMS3652L07, HMS5082B08, Domiphen bromide (JAN/USAN/INN), HY-B1467, Tox21_111054, Tox21_200219, EBC-27011, s4186, SBB058315, AKOS003387020, Tox21_111054_1, CCG-268817, CS-5156, FD33327, MSK002031-100W, NCGC00257773-01, AC-15736, AS-12368, DA-52658, ST088109, SY101182, NS00100399, SW219200-1, Domiphen bromide Solution in Water, 100ug/mL, D01588, SBI-0653904.0001, dodecyl-dimethyl-(2-phenoxyethyl)ammonium, bromide, dodecyl-dimethyl-(2-phenoxyethyl)azanium, bromide, EN300-22867922, F863984, SR-01000883678, Q4165880, SR-01000883678-1, N,N-dimethyl-N-(2-phenoxyethyl)dodecan-1-aminiumbromide, DODECYL-DIMETHYL-(2-PHENOXY-ETHYL)-AMMONIUM, BROMIDE
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 283.15 | - | 415.6 | [350] |
| 1-Butanol | 288.15 | - | 553.4 | [350] |
| 1-Butanol | 293.15 | - | 701.4 | [350] |
| 1-Butanol | 298.15 | - | 837.1 | [350] |
| 1-Butanol | 303.15 | - | 991.5 | [350] |
| 1-Butanol | 308.15 | - | 1286.5 | [350] |
| 1-Butanol | 313.15 | - | 1582.6 | [350] |
| 1-Butanol | 318.15 | - | 1952.7 | [350] |
| 1-Butanol | 323.15 | - | 2330.9 | [350] |
| 1-Pentanol | 283.15 | - | 336.6 | [350] |
| 1-Pentanol | 288.15 | - | 464.5 | [350] |
| 1-Pentanol | 293.15 | - | 573.7 | [350] |
| 1-Pentanol | 298.15 | - | 749.2 | [350] |
| 1-Pentanol | 303.15 | - | 901.1 | [350] |
| 1-Pentanol | 308.15 | - | 1139.3 | [350] |
| 1-Pentanol | 313.15 | - | 1407.2 | [350] |
| 1-Pentanol | 318.15 | - | 1839.6 | [350] |
| 1-Pentanol | 323.15 | - | 2213.8 | [350] |
| 1-Propanol | 283.15 | - | 509.3 | [350] |
| 1-Propanol | 288.15 | - | 669.4 | [350] |
| 1-Propanol | 293.15 | - | 836.9 | [350] |
| 1-Propanol | 298.15 | - | 1028.7 | [350] |
| 1-Propanol | 303.15 | - | 1212.0 | [350] |
| 1-Propanol | 308.15 | - | 1461.0 | [350] |
| 1-Propanol | 313.15 | - | 1697.0 | [350] |
| 1-Propanol | 318.15 | - | 1932.6 | [350] |
| 1-Propanol | 323.15 | - | 2158.5 | [350] |
| Acetonitrile | 283.15 | - | 35.8 | [350] |
| Acetonitrile | 288.15 | - | 44.96 | [350] |
| Acetonitrile | 293.15 | - | 59.13 | [350] |
| Acetonitrile | 298.15 | - | 78.5 | [350] |
| Acetonitrile | 303.15 | - | 106.7 | [350] |
| Acetonitrile | 308.15 | - | 147.9 | [350] |
| Acetonitrile | 313.15 | - | 218.7 | [350] |
| Acetonitrile | 318.15 | - | 329.8 | [350] |
| Acetonitrile | 323.15 | - | 504.1 | [350] |
| Dimethyl sulfoxide | 293.15 | - | 224.6 | [350] |
| Dimethyl sulfoxide | 298.15 | - | 274.2 | [350] |
| Dimethyl sulfoxide | 303.15 | - | 337.4 | [350] |
| Dimethyl sulfoxide | 308.15 | - | 412.4 | [350] |
| Dimethyl sulfoxide | 313.15 | - | 515.9 | [350] |
| Dimethyl sulfoxide | 318.15 | - | 658.4 | [350] |
| Dimethyl sulfoxide | 323.15 | - | 800.4 | [350] |
| Dimethylacetamide | 283.15 | - | 77.34 | [350] |
| Dimethylacetamide | 288.15 | - | 99.37 | [350] |
| Dimethylacetamide | 293.15 | - | 141.4 | [350] |
| Dimethylacetamide | 298.15 | - | 193.3 | [350] |
| Dimethylacetamide | 303.15 | - | 229.4 | [350] |
| Dimethylacetamide | 308.15 | - | 311.0 | [350] |
| Dimethylacetamide | 313.15 | - | 374.4 | [350] |
| Dimethylacetamide | 318.15 | - | 511.9 | [350] |
| Dimethylacetamide | 323.15 | - | 600.1 | [350] |
| Dimethylformamide | 283.15 | - | 132.7 | [350] |
| Dimethylformamide | 288.15 | - | 162.6 | [350] |
| Dimethylformamide | 293.15 | - | 218.3 | [350] |
| Dimethylformamide | 298.15 | - | 262.4 | [350] |
| Dimethylformamide | 303.15 | - | 345.3 | [350] |
| Dimethylformamide | 308.15 | - | 407.7 | [350] |
| Dimethylformamide | 313.15 | - | 496.6 | [350] |
| Dimethylformamide | 318.15 | - | 678.4 | [350] |
| Dimethylformamide | 323.15 | - | 794.8 | [350] |
| Ethanol | 283.15 | - | 651.4 | [350] |
| Ethanol | 288.15 | - | 854.5 | [350] |
| Ethanol | 293.15 | - | 1061.4 | [350] |
| Ethanol | 298.15 | - | 1316.0 | [350] |
| Ethanol | 303.15 | - | 1533.2 | [350] |
| Ethanol | 308.15 | - | 1792.7 | [350] |
| Ethanol | 313.15 | - | 2045.2 | [350] |
| Ethanol | 318.15 | - | 2317.4 | [350] |
| Ethanol | 323.15 | - | 2601.5 | [350] |
| Isobutanol | 288.15 | - | 456.8 | [350] |
| Isobutanol | 293.15 | - | 598.5 | [350] |
| Isobutanol | 298.15 | - | 759.2 | [350] |
| Isobutanol | 303.15 | - | 945.3 | [350] |
| Isobutanol | 308.15 | - | 1077.8 | [350] |
| Isobutanol | 313.15 | - | 1269.6 | [350] |
| Isobutanol | 318.15 | - | 1443.6 | [350] |
| Isobutanol | 323.15 | - | 1753.5 | [350] |
| Isopropanol | 283.15 | - | 131.4 | [350] |
| Isopropanol | 288.15 | - | 244.6 | [350] |
| Isopropanol | 293.15 | - | 407.9 | [350] |
| Isopropanol | 298.15 | - | 628.8 | [350] |
| Isopropanol | 303.15 | - | 863.8 | [350] |
| Isopropanol | 308.15 | - | 1089.2 | [350] |
| Isopropanol | 313.15 | - | 1319.0 | [350] |
| Isopropanol | 318.15 | - | 1558.7 | [350] |
| Isopropanol | 323.15 | - | 1819.5 | [350] |
| N-Methyl-2-pyrrolidone | 283.15 | - | 95.49 | [350] |
| N-Methyl-2-pyrrolidone | 288.15 | - | 126.8 | [350] |
| N-Methyl-2-pyrrolidone | 293.15 | - | 189.3 | [350] |
| N-Methyl-2-pyrrolidone | 298.15 | - | 241.1 | [350] |
| N-Methyl-2-pyrrolidone | 303.15 | - | 323.2 | [350] |
| N-Methyl-2-pyrrolidone | 308.15 | - | 398.3 | [350] |
| N-Methyl-2-pyrrolidone | 313.15 | - | 516.0 | [350] |
| N-Methyl-2-pyrrolidone | 318.15 | - | 671.4 | [350] |
| N-Methyl-2-pyrrolidone | 323.15 | - | 854.1 | [350] |
| tert-Butanol | 298.15 | - | 413.6 | [350] |
| tert-Butanol | 303.15 | - | 629.0 | [350] |
| tert-Butanol | 308.15 | - | 851.3 | [350] |
| tert-Butanol | 313.15 | - | 1057.8 | [350] |
| tert-Butanol | 318.15 | - | 1351.8 | [350] |
| tert-Butanol | 323.15 | - | 1586.8 | [350] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1627.8469 |
| PMI2 | 6849.3043 |
| PMI3 | 7948.5764 |
| NPR1 | 0.2048 |
| NPR2 | 0.8617 |
| RadiusOfGyration | 4.4514 |
| InertialShapeFactor | 0.0005 |
| Eccentricity | 0.9788 |
| Asphericity | 0.5072 |
| SpherocityIndex | 0.1493 |
| PBF | 0.9134 |