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209414-06-2

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Basic Information
CAS No.: 209414-06-2
Name: 1-Naphthalenyl(1-propyl-1H-indol-3-yl)methanone
Molecular Structure:
Molecular Structure of 209414-06-2 (1-Naphthalenyl(1-propyl-1H-indol-3-yl)methanone)
Formula: C22H19NO
Molecular Weight: 313.39
Synonyms: 1-naphthyl-(1-propylindol-3-yl)methanone;
Density: 1.12 g/cm3
Boiling Point: 515.549 °C at 760 mmHg
Flash Point: 265.595 °C
PSA: 22.00000
LogP: 5.43550
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Specification

The 1-Naphthalenyl(1-propyl-1H-indol-3-yl)methanone with the CAS number 209414-06-2 is also called 1-naphthyl-(1-propylindol-3-yl)methanone. Its molecular formula is C22H19NO. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1-Naphthalenyl(1-propyl-1H-indol-3-yl)methanone are: (1)ACD/LogP: 5.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.845; (4)ACD/LogD (pH 7.4): 5.845; (5)ACD/BCF (pH 5.5): 16289.969; (6)ACD/BCF (pH 7.4): 16289.969; (7)ACD/KOC (pH 5.5): 36014.672; (8)ACD/KOC (pH 7.4): 36014.672; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 98.363 cm3; (15)Molar Volume: 279.833 cm3; (16)Polarizability: 38.994×10-24cm3; (17)Surface Tension: 43.066 dyne/cm; (18)Enthalpy of Vaporization: 78.744 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCn1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4
(2)InChI: InChI=1/C22H19NO/c1-2-14-23-15-20(18-11-5-6-13-21(18)23)22(24)19-12-7-9-16-8-3-4-10-17(16)19/h3-13,15H,2,14H2,1H3
(3)InChIKey: IVLWWVXVWRIXSS-UHFFFAOYAQ