1H-Isoindole-1,3(2H)-dione,2-octadecyl- supplier

Name
1H-Isoindole-1,3(2H)-dione, 2-octadecyl-
EINECS
CAS No. 20332-12-1
Article Data9
CAS DataBase
Density 0.988 g/cm³
Solubility
Melting Point 80-81 °C
Formula C₂₆H₄₁NO₂
Boiling Point 502 °C at 760 mmHg
Molecular Weight 399.617
Flash Point 180.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Octadecyl-1H-isoindole-1,3(2H)-dione;
PSA 37.38000
LogP 7.48200

1H-Isoindole-1,3(2H)-dione,2-octadecyl- Specification

The 1H-Isoindole-1,3(2H)-dione,2-octadecyl-, with the CAS registry number 20332-12-1, is also known as 2-Octadecyl-1H-isoindole-1,3(2H)-dione. This chemical's molecular formula is C₂₆H₄₁NO₂ and molecular weight is 399.61. What's more, its IUPAC name is 2-octadecylisoindole-1,3-dione. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of 1H-Isoindole-1,3(2H)-dione,2-octadecyl- are: (1)ACD/LogP: 10.59; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 17; (6)Polar Surface Area: 37.38 Å²; (7)Index of Refraction: 1.51; (8)Molar Refractivity: 121.09 cm³; (9)Molar Volume: 404.2 cm³; (10)Polarizability: 48×10^-24cm³; (11)Surface Tension: 39 dyne/cm; (12)Density: 0.988 g/cm³; (13)Flash Point: 180.8 °C; (14)Enthalpy of Vaporization: 77.09 kJ/mol; (15)Boiling Point: 502 °C at 760 mmHg; (16)Vapour Pressure: 3.31E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CCCCCCCCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26(27)29/h17-18,20-21H,2-16,19,22H2,1H3
(3)Std. InChIKey: BCZUGMNWRQGHFP-UHFFFAOYSA-N

Product Name

1H-Isoindole-1,3(2H)-dione, 2-octadecyl-

1H-Isoindole-1,3(2H)-dione,2-octadecyl- Specification

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