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CAS No.: | 304-17-6 |
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Name: | N-Isopropylphthalimide |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C11H11NO2 |
Molecular Weight: | 189.214 |
Synonyms: | Phthalimide,N-isopropyl- (6CI,7CI,8CI);NSC 406141; |
EINECS: | 206-150-5 |
Density: | 1.223 g/cm3 |
Melting Point: | 82-84 °C |
Boiling Point: | 287.2 °C at 760 mmHg |
Flash Point: | 121.1 °C |
Appearance: | slight yellow liquid |
PSA: | 37.38000 |
LogP: | 1.62890 |
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The IUPAC name of N-Isopropylphthalimide is 2-propan-2-ylisoindole-1,3-dione. With the CAS registry number 304-17-6, it is also named as Isopropyl phthalimide. The product's category is Derivatives of Phthalimide. Besides, it is slight yellow liquid. In addition, its molecular formula is C11H11NO2 and molecular weight is 189.22.
The other characteristics of N-Isopropylphthalimide can be summarized as: (1)EINECS: 206-150-5; (2)ACD/LogP: 2.44; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.43; (5)ACD/LogD (pH 7.4): 2.43; (6)ACD/BCF (pH 5.5): 41.72; (7)ACD/BCF (pH 7.4): 41.72; (8)ACD/KOC (pH 5.5): 502.84; (9)ACD/KOC (pH 7.4): 502.84; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 51.5 cm3; (15)Molar Volume: 154.6 cm3; (16)Surface Tension: 48 dyne/cm; (17)Density: 1.223 g/cm3; (18)Flash Point: 121.1 °C; (19)Melting Point: 82-84 °C; (20)Enthalpy of Vaporization: 52.63 kJ/mol; (21)Boiling Point: 287.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00253 mmHg at 25 °C.
Preparation of this chemical: this chemical can be prepared by the reaction of N-Hydroxy-phthalimide with Isopropylamine.
This reaction needs Ethanol for 4 hours. The yield is 79 %.
Uses of this chemical: it can react with Prop-2-ynyl-magnesium bromide to get 3-Hydroxy-2-isopropyl-3-prop-2-ynyl-2,3-dihydro-isoindol-1-one.
This reaction needs Tetrahydrofuran and Diethyl ether at temperature of 0 °C for 5 min. The yield is 94 %.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)N1C(=O)C2=CC=CC=C2C1=O
(2)InChI: InChI=1S/C11H11NO2/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14/h3-7H,1-2H3
(3)InChIKey: VPLDXHDOGVIETL-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 3500mg/kg (3500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Farmaco, Edizione Scientifica. Vol. 20, Pg. 3, 1965. |
rat | LDLo | oral | 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 27, 1953. |