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CAS No.: | 36043-57-9 |
---|---|
Name: | N-DECYLPHTHALIMIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C18H25NO2 |
Molecular Weight: | 287.402 |
Synonyms: | N-Decylphthalimide; |
Density: | 1.055 g/cm3 |
Boiling Point: | 397.5 °C at 760 mmHg |
Flash Point: | 155.9 °C |
PSA: | 37.38000 |
LogP: | 4.36120 |
The 1H-Isoindole-1,3(2H)-dione,2-decyl- is an organic compound with the formula C18H25NO2. The systematic name of this chemical is 2-decyl-1H-isoindole-1,3(2H)-dione. With the CAS registry number 36043-57-9, it is also named as N-Decylphthalimide.
Physical properties about 1H-Isoindole-1,3(2H)-dione,2-decyl- are: (1)ACD/LogP: 6.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.34; (4)ACD/LogD (pH 7.4): 6.34; (5)ACD/BCF (pH 5.5): 38627.65; (6)ACD/BCF (pH 7.4): 38627.65; (7)ACD/KOC (pH 5.5): 66816.75; (8)ACD/KOC (pH 7.4): 66816.75; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 37.38 Å2; (12)Index of Refraction: 1.529; (13)Molar Refractivity: 84.03 cm3; (14)Molar Volume: 272.2 cm3; (15)Polarizability: 33.31×10-24cm3; (16)Surface Tension: 41.2 dyne/cm; (17)Density: 1.055 g/cm3; (18)Flash Point: 155.9 °C; (19)Enthalpy of Vaporization: 64.8 kJ/mol; (20)Boiling Point: 397.5 °C at 760 mmHg; (21)Vapour Pressure: 1.58E-06 mmHg at 25°C.
Uses of 1H-Isoindole-1,3(2H)-dione,2-decyl-: it can be used to produce N-decyl-2-(pyrrolidine-1-carbonyl)-benzamide at temperature of 25 °C. It will need reagent tetrahydrofuran. The yield is about 95%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CCCCCCCCCC
(2)InChI: InChI=1/C18H25NO2/c1-2-3-4-5-6-7-8-11-14-19-17(20)15-12-9-10-13-16(15)18(19)21/h9-10,12-13H,2-8,11,14H2,1H3
(3)InChIKey: HJPUPXDCUZMNME-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-11-14-19-17(20)15-12-9-10-13-16(15)18(19)21/h9-10,12-13H,2-8,11,14H2,1H3
(5)Std. InChIKey: HJPUPXDCUZMNME-UHFFFAOYSA-N