Azelaic acid
CAS Number: 123-99-9
Molecular Mass: 188.22 g/mol
Formula: C9H16O4
Smiles: O=C(O)CCCCCCCC(=O)O
Synonymes:
Azelaic acid, azelaic acid, NONANEDIOIC ACID, 123-99-9, Anchoic acid, Finacea, Lepargylic acid, Azelex, 1,7-Heptanedicarboxylic acid, Skinoren, Heptanedicarboxylic acid, 1,9-Nonanedioic acid, Emerox 1110, Emerox 1144, n-Nonanedioic acid, acide azelaique, Acido azelaico, acidum azelaicum, Azelaic acid, technical grade, 1,7-Dicarboxyheptane, ZK 62498, ZK-62498, F2VW3D43YT, NSC-19493, DTXSID8021640, CHEBI:48131, NSC19493, DTXCID501640, 4-02-00-02055 (Beilstein Handbook Reference), hydron, nonanedioate, Azelainsaeure, Nonandisaeure, Finacea Foam, Azelaic Acid Gel, RefChem:5575, D10AX03, 204-669-1, Finevin, Azelainic acid, Skinorem, Emery's L-110, NSC 19493, MFCD00004432, heptane-1,7-dicarboxylic acid, MLS000069659, NCGC00014993-07, SMR000059164, Azalaic Acid, Acide azelaique [French], Acido azelaico [Spanish], Acidum azelaicum [Latin], Azelaic acid [USAN:INN], Azelaic, CAS-123-99-9, Finacea (TN), Azelex (TN), SR-01000075671, EINECS 204-669-1, UNII-F2VW3D43YT, Azelaic acid (USAN/INN), BRN 1101094, Azelaicacidtech, Lepargylate, Anchoate, azelaic-acid, n-Nonanedioate, AI3-06299, HSDB 7659, 1tuf, 1,9-Nonanedioate, SH-441, AGN-191861, Azelaic acid, 98%, Spectrum_000057, Water-solubleazelaicacid, Opera_ID_740, Azelaic acid (Standard), 1,7-Heptanedicarboxylate, Spectrum2_000995, Spectrum3_000278, Spectrum4_000401, Spectrum5_001304, Water-soluble azelaic acid, AZELAIC ACID [MI], Epitope ID:187039, EC 204-669-1, AZELAIC ACID [INN], Lopac-246379, SCHEMBL3887, AZELAIC ACID [HSDB], AZELAIC ACID [USAN], CHEMBL1238, Lopac0_000051, AZELAIC ACID [VANDF], BSPBio_001756, KBioGR_000662, KBioSS_000437, Nonanedioic acid Azelaic acid, MLS001148615, AZELAIC ACID [MART.], BIDD:GT0315, DivK1c_000532, SPECTRUM1500648, SPBio_001089, AZELAIC ACID [WHO-DD], GTPL7484, orb1310162, orb3025897, SCHEMBL11583701, SCHEMBL20853602, HMS501K14, HY-B0704R, KBio1_000532, KBio2_000437, KBio2_003005, KBio2_005573, KBio3_001256, Azelaic acid, analytical standard, MSK1782, NINDS_000532, HMS1921O11, HMS2092E22, HMS2234D10, HMS3260K03, HMS3372J07, HMS5083D11, Pharmakon1600-01500648, AZELAIC ACID [ORANGE BOOK], HY-B0704, Tox21_110063, Tox21_201989, Tox21_303011, Tox21_500051, Azelaic acid, technical grade, 80%, CCG-40081, EBC-13419, LMFA01170054, NSC757406, s4550, SBB060279, STL059432, AKOS000120052, Tox21_110063_1, Azelaic acid, technical, ~85% (GC), Azelaic acid, Vetec(TM) reagent grade, DB00548, FA29685, KS-5293, LP00051, NSC-757406, SDCCGMLS-0066619.P001, SDCCGMLS-0066619.P033, SDCCGSBI-0050040.P004, IDI1_000532, MLS-0066619, NCGC00014993-01, NCGC00014993-02, NCGC00014993-03, NCGC00014993-04, NCGC00014993-05, NCGC00014993-06, NCGC00014993-08, NCGC00014993-09, NCGC00014993-10, NCGC00014993-12, NCGC00014993-15, NCGC00093565-01, NCGC00093565-02, NCGC00093565-03, NCGC00093565-04, NCGC00093565-05, NCGC00093565-06, NCGC00093565-07, NCGC00256508-01, NCGC00259538-01, NCGC00260736-01, BP-27863, MLS-0066619.P021, SBI-0050040.P003, A0561, A1318, Dicarboxylic acid C9, Nonanedioic acid, AZA, EU-0100051, NS00011498, ST45053319, EN300-18040, C08261, D03034, D70171, M01351, AB00052140_12, Q413504, SR-01000075671-1, SR-01000075671-4, SR-01000075671-6, 0C50D8EC-0DB0-4F24-8EFC-2919E1F0D9BF, BRD-K08976401-001-18-5, Z57127532, F8889-5093, InChI=1/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Acetic acid | 288.15 | - | 113.9 | [83] |
| Acetic acid | 289.05 | - | 74.3 | [84] |
| Acetic acid | 293.15 | - | 137.2 | [83] |
| Acetic acid | 293.95 | - | 94.33 | [84] |
| Acetic acid | 298.15 | - | 181.0 | [83] |
| Acetic acid | 298.85 | - | 120.3 | [84] |
| Acetic acid | 303.15 | - | 219.1 | [83] |
| Acetic acid | 303.45 | - | 154.0 | [84] |
| Acetic acid | 308.15 | - | 266.7 | [83] |
| Acetic acid | 308.35 | - | 200.0 | [84] |
| Acetic acid | 313.35 | - | 259.5 | [84] |
| Acetic acid | 315.15 | - | 326.6 | [83] |
| Acetic acid | 318.15 | - | 399.8 | [83] |
| Acetic acid | 318.85 | - | 341.3 | [84] |
| Acetic acid | 323.15 | - | 490.2 | [83] |
| Acetic acid | 325.35 | - | 483.1 | [84] |
| Acetic acid | 330.95 | - | 640.7 | [84] |
| Acetic acid | 337.35 | - | 899.7 | [84] |
| Acetic acid | 341.75 | - | 1125.8 | [84] |
| Acetone | 276.65 | - | 23.69 | [84] |
| Acetone | 279.45 | - | 27.19 | [84] |
| Acetone | 283.15 | - | 33.91 | [84] |
| Acetone | 286.95 | - | 41.47 | [84] |
| Acetone | 288.15 | - | 77.13 | [83] |
| Acetone | 293.15 | - | 87.79 | [83] |
| Acetone | 294.15 | - | 59.58 | [84] |
| Acetone | 297.55 | - | 71.95 | [84] |
| Acetone | 298.15 | - | 105.9 | [83] |
| Acetone | 303.05 | - | 95.78 | [84] |
| Acetone | 303.15 | - | 131.3 | [83] |
| Acetone | 306.55 | - | 115.1 | [84] |
| Acetone | 308.15 | - | 169.7 | [83] |
| Acetone | 312.05 | - | 155.3 | [84] |
| Acetone | 315.15 | - | 217.5 | [83] |
| Acetone | 316.15 | - | 195.7 | [84] |
| Acetone | 318.15 | - | 284.9 | [83] |
| Acetone | 320.95 | - | 273.5 | [84] |
| Acetone | 323.15 | - | 410.1 | [83] |
| Acetone | 325.35 | - | 333.4 | [84] |
| Ethanol | 276.75 | - | 71.13 | [84] |
| Ethanol | 280.05 | - | 84.94 | [84] |
| Ethanol | 283.25 | - | 98.09 | [84] |
| Ethanol | 288.15 | - | 182.8 | [83] |
| Ethanol | 288.15 | - | 121.7 | [84] |
| Ethanol | 293.05 | - | 151.7 | [84] |
| Ethanol | 293.15 | - | 206.4 | [83] |
| Ethanol | 297.55 | - | 185.4 | [84] |
| Ethanol | 298.15 | - | 244.1 | [83] |
| Ethanol | 303.15 | - | 296.8 | [83] |
| Ethanol | 304.05 | - | 236.0 | [84] |
| Ethanol | 307.35 | - | 287.0 | [84] |
| Ethanol | 308.15 | - | 359.9 | [83] |
| Ethanol | 312.05 | - | 338.9 | [84] |
| Ethanol | 315.15 | - | 445.1 | [83] |
| Ethanol | 317.05 | - | 416.5 | [84] |
| Ethanol | 318.15 | - | 552.2 | [83] |
| Ethanol | 322.05 | - | 519.8 | [84] |
| Ethanol | 323.15 | - | 705.9 | [83] |
| Ethanol | 326.85 | - | 618.1 | [84] |
| Ethanol | 332.05 | - | 783.3 | [84] |
| Ethanol | 336.55 | - | 937.5 | [84] |
| Ethyl acetate | 288.15 | - | 17.81 | [83] |
| Ethyl acetate | 293.15 | - | 21.93 | [83] |
| Ethyl acetate | 298.15 | - | 31.36 | [83] |
| Ethyl acetate | 303.15 | - | 45.01 | [83] |
| Ethyl acetate | 308.15 | - | 63.49 | [83] |
| Ethyl acetate | 315.15 | - | 103.2 | [83] |
| Ethyl acetate | 318.15 | - | 131.9 | [83] |
| Ethyl acetate | 323.15 | - | 196.9 | [83] |
| Ethylene Glycol | 278.65 | - | 28.5 | [84] |
| Ethylene Glycol | 283.35 | - | 34.0 | [84] |
| Ethylene Glycol | 288.05 | - | 35.94 | [84] |
| Ethylene Glycol | 292.85 | - | 49.33 | [84] |
| Ethylene Glycol | 297.35 | - | 83.15 | [84] |
| Ethylene Glycol | 303.35 | - | 100.0 | [84] |
| Ethylene Glycol | 307.35 | - | 137.6 | [84] |
| Ethylene Glycol | 312.25 | - | 174.0 | [84] |
| Ethylene Glycol | 317.05 | - | 220.5 | [84] |
| Ethylene Glycol | 321.55 | - | 284.7 | [84] |
| Ethylene Glycol | 326.45 | - | 378.6 | [84] |
| Ethylene Glycol | 331.35 | - | 495.7 | [84] |
| Ethylene Glycol | 336.15 | - | 658.8 | [84] |
| Water | 280.15 | - | 0.6206 | [85] |
| Water | 285.85 | - | 0.849 | [85] |
| Water | 291.85 | - | 1.218 | [85] |
| Water | 298.15 | - | 1.778 | [85] |
| Water | 307.85 | - | 2.98 | [85] |
| Water | 316.15 | - | 3.477 | [85] |
| Water | 325.75 | - | 4.967 | [85] |
| Water | 330.15 | - | 7.203 | [85] |
| Water | 334.65 | - | 9.568 | [85] |
| Water | 338.15 | - | 13.14 | [85] |
| Water | 344.15 | - | 13.54 | [85] |
| Water | 347.65 | - | 15.59 | [85] |
| Water | 353.05 | - | 19.47 | [85] |
| Water | 357.65 | - | 17.52 | [85] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 516.8102 |
| PMI2 | 1269.6657 |
| PMI3 | 1608.3139 |
| NPR1 | 0.3213 |
| NPR2 | 0.7894 |
| RadiusOfGyration | 3.0030 |
| InertialShapeFactor | 0.0015 |
| Eccentricity | 0.9470 |
| Asphericity | 0.3250 |
| SpherocityIndex | 0.2594 |
| PBF | 0.7766 |