N-(3-BUTYNYL)PHTHALIMIDE

The 1H-Isoindole-1,3(2H)-dione,2-(3-butyn-1-yl)-, with the CAS registry number 14396-90-8, is also known as N-(3-Butynyl)phthalimide. It belongs to the product categories of Carbonyl Compounds; Cyclic Imides; Organic Building Blocks. This chemical's molecular formula is C₁₂H₉NO₂ and molecular weight is 199.21. What's more, its systematic name is 2-(but-3-yn-1-yl)-1H-isoindole-1,3(2H)-dione.

Physical properties of 1H-Isoindole-1,3(2H)-dione,2-(3-butyn-1-yl)- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.16; (6)ACD/BCF (pH 7.4): 31.16; (7)ACD/KOC (pH 5.5): 408.05; (8)ACD/KOC (pH 7.4): 408.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 54.06 cm³; (15)Molar Volume: 156.9 cm³; (16)Polarizability: 21.43×10^-24cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.269 g/cm³; (19)Flash Point: 146.6 °C; (20)Enthalpy of Vaporization: 57.04 kJ/mol; (21)Boiling Point: 328 °C at 760 mmHg; (22)Vapour Pressure: 0.000195 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes. It also may cause sensitisation by skin contact. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
(2)InChI: InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
(3)InChIKey: GYGKJNGSQQORRG-UHFFFAOYSA-N