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CAS No.: | 2436-29-5 |
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Name: | 3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONALDEHYDE |
Article Data: | 67 |
Molecular Structure: | |
Formula: | C11H9NO3 |
Molecular Weight: | 203.197 |
Synonyms: | Phthalimide,N-(2-formylethyl)- (7CI,8CI);1,3-Dihydro-1,3-dioxo-2H-isoindole-2-propanal;2-(3-Oxopropyl)isoindole-1,3-dione;3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanal;3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propionaldehyde;3-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)propionaldehyde;3-Phthalimidopropionaldehyde;N-(2-Formylethyl)phthalimide;NSC 166600;b-Phthalimidopropionaldehyde; |
Density: | 1.319 g/cm3 |
Melting Point: | 136-141 °C |
Boiling Point: | 352.7 °C at 760 mmHg |
Flash Point: | 165 °C |
Appearance: | white solid |
Hazard Symbols: | Xn |
Risk Codes: | 22-36-43 |
Safety: | 26-36/37 |
PSA: | 54.45000 |
LogP: | 0.80950 |
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The 3-Phthalimidopropionaldehyde with the cas number 2436-29-5 is also called 2H-Isoindole-2-propanal,1,3-dihydro-1,3-dioxo-. The IUPAC name is 3-(1,3-dioxoisoindol-2-yl)propanal. Its molecular formula is C11H9NO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 154.19; (8)ACD/KOC (pH 7.4): 154.19; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.45 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 51.78 cm3; (15)Molar Volume: 153.9 cm3; (16)Polarizability: 20.53×10-24cm3; (17)Surface Tension: 54.4 dyne/cm; (18)Enthalpy of Vaporization: 59.75 kJ/mol; (19)Vapour Pressure: 3.77×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CCC=O
(2)InChI: InChI=1/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2
(3)InChIKey: IBSDSIHTMABATG-UHFFFAOYAL
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1055mg/kg (1055mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Journal of Pharmaceutical Sciences. Vol. 57, Pg. 815, 1968. |