Phenacetin
CAS Number: 62-44-2
Molecular Mass: 179.22 g/mol
Formula: C10H13NO2
Smiles: CCOc1ccc(NC(C)=O)cc1
Synonymes:
Phenacetin, phenacetin, 62-44-2, N-(4-Ethoxyphenyl)acetamide, Acetophenetidin, Acetophenetidine, Acetophenetin, Acetphenetidin, Phenacetine, Phenazetin, p-Acetophenetidide, Phenacetinum, Fenidina, Kalmin, Achrocidin, Codempiral, Contradol, Contradouleur, Fenacetina, Phenedina, p-Acetophenetidine, Pertonal, Phenidin, Phenin, p-Acetophenetide, 4-Ethoxyacetanilide, Phenacet, Phenacitin, Pyraphen, Fenina, Acetamide, N-(4-ethoxyphenyl)-, p-Ethoxyacetanilide, p-Acetphenetidin, Acetylphenetidin, para-Phenacetin, N-Acetyl-p-phenetidine, Aceto-4-phenetidine, Acet-p-phenalide, Para-acetphenetidin, 1-Acetamido-4-ethoxybenzene, Aceto-para-phenalide, para-Acetophenetidide, Aceto-para-phenetidide, p-Phenetidine, N-acetyl-, para-Acetophenetidine, para-Ethoxyacetanilide, Acetamide, N-(4-ethoxyphenol)-, N-Acetyl-para-phenetidine, DTXSID1021116, NSC-7651, ER0CTH01H9, Phenacetin Melting Point Standard, CHEBI:8050, DTXCID001116, NSC7651, para Acetylphenetidin, 4-Ethoxy Acetanilide, RefChem:6116, PARA-ACETOPHENETIDE, ACET-PARA-PHENALIDE, N-(4-ethoxyphenol)acetamide, N02BE03, 200-533-0, 695-035-7, 4'-Ethoxyacetanilide, Commotional, Phenazetina, Tetracydin, Clistanol, Coriforte, Daprisal, Dasikon, Dolostop, Edrisal, Empiral, Emprazil, Epragen, Fortacyl, Gelonida, Gewodin, Helvagit, Hocophen, Melabon, Melaforte, Pamprin, Paramette, Paratodol, Phenodyne, Pyrroxate, Quadronal, Salgydal, Sanalgine, Saridon, Seranex, Sinedal, Sinutab, Stellacyl, Synalogos, Treupel, Veganine, Anapac, Fenia, Malex, Tacol, Viden, Xaril, Bromo seltzer, Kafa, Phenaphen plus, Robaxisal-ph, Citra-fort, Super Anahist, Dasin ch, Emprazil-C, Coryban-D, Paracetophenetidin, Hjorton'S powder, Acet-p-phenetidin, Thephorin A-C, Buff-A-Comp, Fiorinal, Sinutabs, Acetanilide, 4'-ethoxy-, Fenacetin [Czech], Rcra waste number U187, Fenacetin, N-Acetyl-4-ethoxyaniline, Fenacetina [INN-Spanish], N-para-Ethoxyphenylacetamide, CCRIS 496, HSDB 3152, 4-(Acetylamino)phenetole, MFCD00009094, p-Ethoxyanilid kyseliny octove, p-Ethoxyanilid kyseliny octove [Czech], BRN 1869238, Acetic acid amide, N-(4-ethoxyphenyl)-, Phenacetin (Standard), 1-Acetyl-p-phenetidin, AI3-00783, 4-Ethoxy-1-acetylaminobenzene, N-[4-(ethyloxy)phenyl]acetamide, CAS-62-44-2, NCGC00016281-06, Phenacetin (p-Acetophenetidide), Phenacetine [INN-French], Phenacetinum [INN-Latin], 40674-52-0, SMR000752916, SR-01000787183, NSC 7651, EINECS 200-533-0, RCRA waste no. U187, UNII-ER0CTH01H9, Terracydin, Phenacetin [USP:INN:JAN], N-(4-ethoxyphenyl)-acetamide, Zactirin compound, p-Acetophenetitide, 4-Acetophenetidine, Prestwick_862, Phenacetin, 97%, 4-Ethoxy-acetanilid, N-acetylphenetylamine, 4-Ethoxy-acetanilide, ASA COMPOUND, Phenacetin M.P. RS, Butigetic (Salt/Mix), Spectrum_000782, Acetanilide, p-ethoxy-, PHENACETIN [MI], Phenacetin (JAN/INN), N-Acetyl-p-ethoxyaniline, PHENACETIN [INN], PHENACETIN [JAN], Prestwick0_000533, Prestwick1_000533, Prestwick2_000533, Prestwick3_000533, Spectrum2_001940, Spectrum3_001404, Spectrum4_000515, Spectrum5_001902, PHENACETIN [HSDB], PHENACETIN [IARC], p-Acetophenetidide (8CI), PHENACETIN [VANDF], PHENACETINUM [HPUS], PHENACETIN [MART.], WLN: 2OR DMV1, PHENACETIN [USP-RS], PHENACETIN [WHO-DD], SCHEMBL23280, BSPBio_000545, BSPBio_003048, KBioGR_001089, KBioSS_001262, N-(4-ethoxyphenyl)ethanamide, MLS001304971, MLS002153862, MLS002303055, aniline, N-acetyl-4-ethoxy-, CHEMBL16073, DivK1c_000580, P-A-C Compound (Salt/Mix), SPECTRUM1500642, SPBio_001979, SPBio_002466, BPBio1_000601, GTPL7402, orb1310301, orb3025209, SCHEMBL1064813, SCHEMBL2326705, SCHEMBL5673568, HMS501M22, HY-B0476R, KBio1_000580, KBio2_001262, KBio2_003830, KBio2_006398, KBio3_002268, NINDS_000580, HMS1569L07, HMS1921M21, HMS2092E14, HMS2096L07, HMS2234P11, HMS3373I02, HMS3651N07, HMS3713L07, HMS3884H10, HMS5081P05, Pharmakon1600-01500642, HY-B0476, KCA90227, MSK10057, Phenacetin, >=98.0% (HPLC), Tox21_110347, Tox21_201926, Tox21_302895, BDBM50420191, CCG-39439, EBC-03426, NSC757401, STK011463, AKOS000370201, Phenacetin 1.0 mg/ml in Acetonitrile, Tox21_110347_1, DB03783, FA26860, NSC-757401, IDI1_000580, Acetamide, N-(4-ethoxyphenyl)- (9CI), NCGC00016281-01, NCGC00016281-02, NCGC00016281-03, NCGC00016281-04, NCGC00016281-05, NCGC00016281-07, NCGC00016281-08, NCGC00016281-11, NCGC00091376-01, NCGC00091376-02, NCGC00091376-03, NCGC00091376-04, NCGC00091376-05, NCGC00256345-01, NCGC00259475-01, AC-28909, AS-87619, SBI-0051571.P002, DB-054164, Phenacetin, Vetec(TM) reagent grade, 98%, AB00052135, CS-0694917, NS00006373, P1669, S2577, ST45053771, SW196989-3, BIM-0051571.0001, C07591, D00569, D84419, EN300-178258, AB00052135_10, AB00052135_11, AE-848/04969036, F498499, Q419175, Phenacetin (p-Acetophenetidide), 1mg/ml in Methanol, SR-01000787183-2, SR-01000787183-3, BRD-K38323065-001-05-8, BRD-K38323065-001-09-0, BRD-K38323065-001-18-1, BRD-K38323065-001-19-9, Z27807932, Acetophenetidine Acetophenidin Acetylphenetidine Phenacetin, Phenacetin, United States Pharmacopeia (USP) Reference Standard, Reagecon Melting Point Phenacetin +133 to +135 degrees C Standard, Phenacetin Melting Point Standard, United States Pharmacopeia (USP) Reference Standard, InChI=1/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12, N4E, Phenacetin melting point standard, Pharmaceutical Secondary Standard, Certified Reference Material
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 283.15 | - | 23.5 | [336] |
| 1-Butanol | 283.37 | - | 33.01 | [337] |
| 1-Butanol | 288.15 | - | 27.54 | [336] |
| 1-Butanol | 288.15 | - | 39.43 | [337] |
| 1-Butanol | 293.15 | - | 32.58 | [336] |
| 1-Butanol | 293.73 | - | 48.66 | [337] |
| 1-Butanol | 298.15 | - | 39.44 | [336] |
| 1-Butanol | 298.2 | - | 57.98 | [337] |
| 1-Butanol | 303.15 | - | 47.7 | [336] |
| 1-Butanol | 303.18 | - | 71.02 | [337] |
| 1-Butanol | 308.05 | - | 87.15 | [337] |
| 1-Butanol | 308.15 | - | 57.0 | [336] |
| 1-Butanol | 313.15 | - | 69.85 | [336] |
| 1-Butanol | 313.23 | - | 108.8 | [337] |
| 1-Butanol | 318.15 | - | 85.84 | [336] |
| 1-Butanol | 318.43 | - | 136.2 | [337] |
| 1-Butanol | 323.15 | - | 109.8 | [336] |
| 1-Butanol | 323.25 | - | 167.6 | [337] |
| 1-Butanol | 328.15 | - | 206.6 | [337] |
| 1-Butanol | 333.27 | - | 256.6 | [337] |
| 1-Pentanol | 282.95 | - | 19.3 | [337] |
| 1-Pentanol | 288.23 | - | 22.99 | [337] |
| 1-Pentanol | 293.27 | - | 27.58 | [337] |
| 1-Pentanol | 298.2 | - | 33.41 | [337] |
| 1-Pentanol | 303.15 | - | 40.92 | [337] |
| 1-Pentanol | 307.95 | - | 50.09 | [337] |
| 1-Pentanol | 312.95 | - | 61.99 | [337] |
| 1-Pentanol | 317.87 | - | 76.41 | [337] |
| 1-Pentanol | 323.17 | - | 95.45 | [337] |
| 1-Pentanol | 328.3 | - | 117.9 | [337] |
| 1-Pentanol | 333.27 | - | 144.0 | [337] |
| 1-Propanol | 282.65 | - | 21.88 | [337] |
| 1-Propanol | 283.15 | - | 26.07 | [336] |
| 1-Propanol | 288.15 | - | 31.82 | [336] |
| 1-Propanol | 289.25 | - | 30.14 | [337] |
| 1-Propanol | 293.15 | - | 38.38 | [336] |
| 1-Propanol | 293.45 | - | 35.89 | [337] |
| 1-Propanol | 298.15 | - | 46.94 | [336] |
| 1-Propanol | 298.25 | - | 43.63 | [337] |
| 1-Propanol | 303.15 | - | 57.9 | [336] |
| 1-Propanol | 303.31 | - | 53.91 | [337] |
| 1-Propanol | 307.85 | - | 65.68 | [337] |
| 1-Propanol | 308.15 | - | 73.22 | [336] |
| 1-Propanol | 313.15 | - | 92.38 | [336] |
| 1-Propanol | 313.3 | - | 83.94 | [337] |
| 1-Propanol | 318.15 | - | 111.4 | [336] |
| 1-Propanol | 318.15 | - | 104.9 | [337] |
| 1-Propanol | 323.15 | - | 140.5 | [336] |
| 1-Propanol | 323.25 | - | 132.8 | [337] |
| 1-Propanol | 328.45 | - | 168.6 | [337] |
| 1-Propanol | 333.7 | - | 213.9 | [337] |
| 2-Butanol | 283.15 | - | 17.92 | [336] |
| 2-Butanol | 288.15 | - | 22.12 | [336] |
| 2-Butanol | 293.15 | - | 26.65 | [336] |
| 2-Butanol | 298.15 | - | 32.48 | [336] |
| 2-Butanol | 303.15 | - | 39.58 | [336] |
| 2-Butanol | 308.15 | - | 48.8 | [336] |
| 2-Butanol | 313.15 | - | 59.57 | [336] |
| 2-Butanol | 318.15 | - | 74.44 | [336] |
| 2-Butanol | 323.15 | - | 95.88 | [336] |
| Acetonitrile | 283.15 | - | 19.41 | [336] |
| Acetonitrile | 288.15 | - | 23.24 | [336] |
| Acetonitrile | 293.15 | - | 28.88 | [336] |
| Acetonitrile | 298.15 | - | 38.65 | [336] |
| Acetonitrile | 303.15 | - | 50.16 | [336] |
| Acetonitrile | 308.15 | - | 63.73 | [336] |
| Acetonitrile | 313.15 | - | 80.56 | [336] |
| Acetonitrile | 318.15 | - | 101.5 | [336] |
| Acetonitrile | 323.15 | - | 125.7 | [336] |
| Benzene | 283.1 | - | 1.61 | [337] |
| Benzene | 288.15 | - | 2.536 | [337] |
| Benzene | 293.1 | - | 3.242 | [337] |
| Benzene | 297.9 | - | 3.925 | [337] |
| Benzene | 303.25 | - | 4.9 | [337] |
| Benzene | 308.23 | - | 6.213 | [337] |
| Benzene | 313.15 | - | 8.081 | [337] |
| Benzene | 318.15 | - | 10.75 | [337] |
| Benzene | 322.85 | - | 14.13 | [337] |
| Benzene | 328.35 | - | 19.38 | [337] |
| Benzene | 333.15 | - | 25.33 | [337] |
| Dimethylacetamide | 283.15 | - | 327.5 | [336] |
| Dimethylacetamide | 288.15 | - | 379.7 | [336] |
| Dimethylacetamide | 293.15 | - | 440.4 | [336] |
| Dimethylacetamide | 298.15 | - | 518.3 | [336] |
| Dimethylacetamide | 303.15 | - | 611.4 | [336] |
| Dimethylacetamide | 308.15 | - | 709.6 | [336] |
| Dimethylacetamide | 313.15 | - | 821.3 | [336] |
| Dimethylacetamide | 318.15 | - | 963.3 | [336] |
| Dimethylacetamide | 323.15 | - | 1131.0 | [336] |
| Dimethylformamide | 283.15 | - | 226.5 | [336] |
| Dimethylformamide | 288.15 | - | 251.2 | [336] |
| Dimethylformamide | 293.15 | - | 275.9 | [336] |
| Dimethylformamide | 298.15 | - | 307.2 | [336] |
| Dimethylformamide | 303.15 | - | 346.5 | [336] |
| Dimethylformamide | 308.15 | - | 389.5 | [336] |
| Dimethylformamide | 313.15 | - | 445.7 | [336] |
| Dimethylformamide | 318.15 | - | 514.0 | [336] |
| Dimethylformamide | 323.15 | - | 611.7 | [336] |
| Ethanol | 282.65 | - | 30.25 | [337] |
| Ethanol | 283.15 | - | 31.74 | [336] |
| Ethanol | 288.15 | - | 39.13 | [336] |
| Ethanol | 289.25 | - | 40.19 | [337] |
| Ethanol | 293.15 | - | 48.82 | [336] |
| Ethanol | 293.41 | - | 47.3 | [337] |
| Ethanol | 298.15 | - | 60.59 | [336] |
| Ethanol | 298.25 | - | 57.17 | [337] |
| Ethanol | 303.15 | - | 77.73 | [336] |
| Ethanol | 303.31 | - | 70.16 | [337] |
| Ethanol | 307.85 | - | 84.88 | [337] |
| Ethanol | 308.15 | - | 95.46 | [336] |
| Ethanol | 313.15 | - | 120.8 | [336] |
| Ethanol | 313.3 | - | 107.4 | [337] |
| Ethanol | 318.15 | - | 153.7 | [336] |
| Ethanol | 318.25 | - | 133.5 | [337] |
| Ethanol | 323.15 | - | 192.0 | [336] |
| Ethanol | 323.25 | - | 166.4 | [337] |
| Ethanol | 328.65 | - | 210.7 | [337] |
| Ethanol | 333.7 | - | 262.9 | [337] |
| Ethyl acetate | 282.65 | - | 11.09 | [337] |
| Ethyl acetate | 283.15 | - | 11.7 | [336] |
| Ethyl acetate | 288.15 | - | 15.23 | [336] |
| Ethyl acetate | 289.45 | - | 15.35 | [337] |
| Ethyl acetate | 293.15 | - | 18.4 | [336] |
| Ethyl acetate | 293.3 | - | 17.72 | [337] |
| Ethyl acetate | 298.15 | - | 22.68 | [336] |
| Ethyl acetate | 298.35 | - | 21.15 | [337] |
| Ethyl acetate | 303.15 | - | 27.15 | [336] |
| Ethyl acetate | 303.17 | - | 25.06 | [337] |
| Ethyl acetate | 308.03 | - | 29.99 | [337] |
| Ethyl acetate | 308.15 | - | 34.18 | [336] |
| Ethyl acetate | 313.05 | - | 36.47 | [337] |
| Ethyl acetate | 313.15 | - | 42.21 | [336] |
| Ethyl acetate | 318.15 | - | 51.3 | [336] |
| Ethyl acetate | 318.25 | - | 45.06 | [337] |
| Ethyl acetate | 323.15 | - | 61.85 | [336] |
| Ethyl acetate | 323.25 | - | 55.53 | [337] |
| Ethyl acetate | 328.15 | - | 68.25 | [337] |
| Ethyl acetate | 333.15 | - | 84.29 | [337] |
| Ethyl formate | 283.15 | - | 13.9 | [336] |
| Ethyl formate | 288.15 | - | 16.17 | [336] |
| Ethyl formate | 293.15 | - | 19.57 | [336] |
| Ethyl formate | 298.15 | - | 23.48 | [336] |
| Ethyl formate | 303.15 | - | 27.53 | [336] |
| Ethyl formate | 308.15 | - | 33.76 | [336] |
| Ethyl formate | 313.15 | - | 41.63 | [336] |
| Ethyl formate | 318.15 | - | 50.63 | [336] |
| Ethyl formate | 323.15 | - | 65.89 | [336] |
| Isopropanol | 283.15 | - | 21.39 | [336] |
| Isopropanol | 288.15 | - | 22.57 | [336] |
| Isopropanol | 293.15 | - | 27.17 | [336] |
| Isopropanol | 298.15 | - | 35.63 | [336] |
| Isopropanol | 303.15 | - | 47.06 | [336] |
| Isopropanol | 308.15 | - | 58.96 | [336] |
| Isopropanol | 313.15 | - | 74.71 | [336] |
| Isopropanol | 318.15 | - | 95.87 | [336] |
| Isopropanol | 323.15 | - | 121.2 | [336] |
| Methanol | 283.15 | - | 49.04 | [336] |
| Methanol | 283.74 | - | 47.3 | [337] |
| Methanol | 288.15 | - | 60.12 | [336] |
| Methanol | 288.15 | - | 57.66 | [337] |
| Methanol | 293.15 | - | 73.63 | [336] |
| Methanol | 293.83 | - | 74.49 | [337] |
| Methanol | 298.15 | - | 91.66 | [336] |
| Methanol | 298.18 | - | 90.94 | [337] |
| Methanol | 303.15 | - | 119.3 | [336] |
| Methanol | 303.18 | - | 114.7 | [337] |
| Methanol | 308.05 | - | 144.0 | [337] |
| Methanol | 308.15 | - | 153.6 | [336] |
| Methanol | 313.15 | - | 196.0 | [336] |
| Methanol | 313.25 | - | 183.2 | [337] |
| Methanol | 318.1 | - | 228.6 | [337] |
| Methanol | 318.15 | - | 253.2 | [336] |
| Methanol | 323.15 | - | 347.0 | [336] |
| Methanol | 323.25 | - | 287.6 | [337] |
| Methanol | 328.15 | - | 355.9 | [337] |
| Methanol | 333.45 | - | 445.8 | [337] |
| Propyl acetate | 283.15 | - | 9.355 | [336] |
| Propyl acetate | 288.15 | - | 11.1 | [336] |
| Propyl acetate | 293.15 | - | 13.03 | [336] |
| Propyl acetate | 298.15 | - | 15.24 | [336] |
| Propyl acetate | 303.15 | - | 18.98 | [336] |
| Propyl acetate | 308.15 | - | 22.22 | [336] |
| Propyl acetate | 313.15 | - | 26.94 | [336] |
| Propyl acetate | 318.15 | - | 33.09 | [336] |
| Propyl acetate | 323.15 | - | 42.76 | [336] |
| Tetrahydrofuran | 283.03 | - | 42.88 | [337] |
| Tetrahydrofuran | 288.35 | - | 52.42 | [337] |
| Tetrahydrofuran | 293.88 | - | 62.53 | [337] |
| Tetrahydrofuran | 298.17 | - | 74.67 | [337] |
| Tetrahydrofuran | 303.15 | - | 89.7 | [337] |
| Tetrahydrofuran | 307.95 | - | 107.5 | [337] |
| Tetrahydrofuran | 313.15 | - | 131.4 | [337] |
| Tetrahydrofuran | 318.15 | - | 159.7 | [337] |
| Tetrahydrofuran | 323.45 | - | 196.8 | [337] |
| Tetrahydrofuran | 328.33 | - | 238.6 | [337] |
| Tetrahydrofuran | 333.55 | - | 293.1 | [337] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 177.2914 |
| PMI2 | 1647.7223 |
| PMI3 | 1815.3750 |
| NPR1 | 0.0977 |
| NPR2 | 0.9076 |
| RadiusOfGyration | 3.1869 |
| InertialShapeFactor | 0.0051 |
| Eccentricity | 0.9952 |
| Asphericity | 0.7355 |
| SpherocityIndex | 0.0385 |
| PBF | 0.2193 |