1-Pentylindole-2,3-dione supplier

Name
1-PENTYL-1H-INDOLE-2,3-DIONE
EINECS
CAS No. 4290-90-8
Article Data18
CAS DataBase
Density 1.145 g/cm³
Solubility
Melting Point 47 °C
Formula C₁₃H₁₅NO₂
Boiling Point 346.3 °C at 760 mmHg
Molecular Weight 217.268
Flash Point 149.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Pentyl-1H-indole-2,3-dione;
PSA 37.38000
LogP 2.47110

1-Pentylindole-2,3-dione Specification

The 1-Pentylindole-2,3-dione, with the CAS registry number 4290-90-8, is also known as 1-Pentyl-1H-indole-2,3-dione. This chemical's molecular formula is C₁₃H₁₅NO₂ and molecular weight is 217.2637. What's more, its IUPAC name is called1-Pentylindole-2,3-dione.

Physical properties about 1-Pentylindole-2,3-dione are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 67; (6)ACD/BCF (pH 7.4): 67; (7)ACD/KOC (pH 5.5): 705.89; (8)ACD/KOC (pH 7.4): 705.89; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 60.86 cm³; (15)Molar Volume: 189.6 cm³; (16)Surface Tension: 44.3 dyne/cm; (17)Density: 1.145 g/cm³; (18)Flash Point: 149.8 °C; (19) Enthalpy of Vaporization: 59.04 kJ/mol; (20)Boiling Point: 346.3 °C at 760 mmHg; (21)Vapour Pressure: 5.83E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccccc1N(C2=O)CCCCC
(2) InChI: InChI=1/C13H15NO2/c1-2-3-6-9-14-11-8-5-4-7-10(11)12(15)13(14)16/h4-5,7-8H,2-3,6,9H2,1H3
(3) InChIKey: UGVPQGQPUANQSX-UHFFFAOYAC

Product Name

1-PENTYL-1H-INDOLE-2,3-DIONE

1-Pentylindole-2,3-dione Specification

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