- InChI
- InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
- InChI Key
- KBOPZPXVLCULAV-UHFFFAOYSA-N
- Formula
- C7H7NO3
- SMILES
- Nc1ccc(O)c(C(=O)O)c1
- Molecular Weight1
- 153.14
- CAS
- 89-57-6
- Other Names
-
- 2-Hydroxy-5-aminobenzoic acid
- 5-ASA
- 5-Amino-2-hydroxybenzoic acid
- 5-Aminosalicylic acid
- Asacol
- Asacolitin
- Benzoic acid, 5-amino-2-hydroxy-
- Canasa
- Claversal
- Fisalamine
- Lialda
- Lixacol
- Mesalazine
- Mesasal
- NSC 38877
- Pentasa
- Rowasa
- Salicylic acid, 5-amino-
- Salofalk
- m-Aminosalicylic acid
- p-Aminosalicylsaeure
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -243.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.19 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.26; -2.18] |
|
|
| log10WS | -2.18 | Aq. Sol... | |
| log10WS | -2.26 | Rytting... | |
| logPoct/wat | 0.673 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Pc | 6796.39 | kPa | Joback Calculated Property |
| Tboil | 690.42 | K | Joback Calculated Property |
| Tc | 918.13 | K | Joback Calculated Property |
| Tfus | [554.15; 556.65] | K |
|
| Tfus | 556.65 | K | Aq. Sol... |
| Tfus | 554.15 | K | Solubil... |
| Vc | 0.340 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.00; 313.51] | J/mol×K | [690.42; 918.13] |
|
| Cp,gas | 277.00 | J/mol×K | 690.42 | Joback Calculated Property |
| Cp,gas | 283.98 | J/mol×K | 728.37 | Joback Calculated Property |
| Cp,gas | 290.51 | J/mol×K | 766.32 | Joback Calculated Property |
| Cp,gas | 296.65 | J/mol×K | 804.27 | Joback Calculated Property |
| Cp,gas | 302.48 | J/mol×K | 842.23 | Joback Calculated Property |
| Cp,gas | 308.08 | J/mol×K | 880.18 | Joback Calculated Property |
| Cp,gas | 313.51 | J/mol×K | 918.13 | Joback Calculated Property |
| ΔfusH | 67.20 | kJ/mol | 543.20 | NIST |
Similar Compounds
Find more compounds similar to Mesalamine.
Mixtures
- Mesalamine + Methyl Alcohol
- Ethanol + Mesalamine
- Mesalamine + Carbon Tetrachloride
- Mesalamine + Tetrahydrofuran
Sources
- Crippen Method
- Solubility of 5-Amino Salicylic Acid in Different Solvents at Various Temperatures
- Joback Method
- Aqueous Solubility Prediction Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
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