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CAS No.: | 71824-24-3 |
---|---|
Name: | N-(2-AMINO-ETHYL)-PHTHALIMIDE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H10N2O2 |
Molecular Weight: | 190.202 |
Synonyms: | N-(2-Aminoethyl)phthalimide;2-(2-Aminoethyl)-1H-isoindole-1,3(2H)-dione;2-(2-Aminoethyl)-2,3-dihydro-1H-isoindole-1,3-dione; |
Density: | 1.322 g/cm3 |
Melting Point: | 192℃ |
Boiling Point: | 336.6 °C at 760 mmHg |
Flash Point: | 157.4 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41-51 |
Safety: | 26-39 |
PSA: | 63.40000 |
LogP: | 0.87950 |
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The 1H-Isoindole-1,3(2H)-dione,2-(2-aminoethyl)-, with the CAS registry number 71824-24-3, is also known as N-(2-Aminoethyl)phthalimide. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.20. What's more, its systematic name is 2-(2-aminoethyl)-1H-isoindole-1,3(2H)-dione.
Physical properties of 1H-Isoindole-1,3(2H)-dione,2-(2-aminoethyl)- are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.91; (4)ACD/LogD (pH 7.4): -0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.03; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 50.5 cm3; (15)Molar Volume: 143.8 cm3; (16)Polarizability: 20.02×10-24cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 157.4 °C; (20)Enthalpy of Vaporization: 57.98 kJ/mol; (21)Boiling Point: 336.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000111 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CCN
(2)Std. InChI: InChI=1S/C10H10N2O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6,11H2
(3)Std. InChIKey: FISUQCYYLJGIIU-UHFFFAOYSA-N