- InChI
- InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
- InChI Key
- UEJJHQNACJXSKW-UHFFFAOYSA-N
- Formula
- C13H10N2O4
- SMILES
-
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(
=O)N1 - Molecular Weight1
- 258.23
- CAS
- 50-35-1
- Other Names
-
- (+/-)-Thalidomide
- 1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline
- 2,6-Dioxo-3-phthalimidopiperidine
- 3-Phthalimidoglutarimide
- Algosediv
- Asidon 3
- Asmadion
- Asmaval
- Bonbrain
- Bonbrrin
- Calmore
- Calmorex
- Celgene
- Contergan
- Corronarobetin
- Distaval
- Distaxal
- Distoval
- E-217
- Ectiluran
- Enterosediv
- Gastrinide
- Glupan
- Glutanon
- Glutarimide, 2-phthalimido-
- Grippex
- Hippuzon
- Imida-Lab
- Imidan (peyta)
- Imidene
- Isomin
- K 17
- Kedavon
- Kevadon
- Lulamin
- N-(2,6-Dioxo-3-piperidyl)phthalimide
- N-Phthaloylglutamimide
- N-Phthalyl-glutaminsaeure-imid
- N-Phthalylglutamic acid imide
- NSC-66847
- Neaufatin
- Neo
- Neosedyn
- Neosydyn
- Nerosedyn
- Neufatin
- Neurodyn
- Neurosedin
- Neurosedym
- Neurosedyn
- Nevrodyn
- Nibrol
- Noctosediv
- Noxodyn
- Pangul
- Pantosediv
- Pharmion
- Phthalimide, N-(2,6-dioxo-3-piperidyl)-
- Poly-Giron
- Polygripan
- Predni-Sediv
- Pro-ban M
- Profarmil
- Psycholiquid
- Psychotablets
- Quetimid
- Quietoplex
- Sandormin
- Sedalis
- Sedalis sedi-lab
- Sedimide
- Sedin
- Sedisperil
- Sedoval
- Shin-naito S
- Shinnibrol
- Sleepan
- Slipro
- Softenil
- Softenon
- Talargan
- Talimol
- Talinol
- Talismol
- Telagan
- Telargan
- Telargean
- Tensival
- Thalidomide
- Thalin
- Thalinette
- Thalomid
- Theophilcholine
- Ulcerfen
- Valgis
- Valgraine
- Yodomin
- «alpha»-(N-Phthalimido)glutarimide
- «alpha»-N-Phthalylglutaramide
- «alpha»-Phthalimidoglutarimide
- «alpha»-(N-Phthalimido)glutarimide
- «alpha»-N-Phthalylglutaramide
- «alpha»-Phthalimidoglutarimide
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7013 | Relay (1.0) Calculated Property | |
| ΔfG° | -242.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -511.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.68; -2.68] |
|
|
| log10WS | -2.68 | Aq. Solubility Prediction | |
| log10WS | -2.68 | Estimated Solubility | |
| logPoct/wat | 0.088 | Crippen Calculated Property | |
| McVol | 174.790 | ml/mol | McGowan Calculated Property |
| Pc | 2887.87 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 662.14 | K | Relay (1.0) Calculated Property |
| Tc | 1014.84 | K | Relay (1.0) Calculated Property |
| Tfus | 496.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.633 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 36.02 | kJ/mol | 548.20 | NIST |
Similar Compounds
Find more compounds similar to 1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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