1-[2-(4-Ethoxyphenyl)ethynyl]-4-propylbenzene supplier

Name
1-(2-(4-ETHOXYPHENYL)ETHYNYL)-4-PROPYLBENZENE
EINECS
CAS No. 39969-29-4
Density 1.04 g/cm³
Solubility
Melting Point
Formula C₁₉H₂₀O
Boiling Point 391.5 °C at 760 mmHg
Molecular Weight 264.36
Flash Point 188.9 °C
Transport Information
Appearance White crystal
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,1-[(4-ethoxyphenyl)ethynyl]-4-propyl- (9CI);1-ethoxy-4-[(4-propylphenyl)ethynyl]benzene;Benzene, 1-[(4-ethoxyphenyl)ethynyl]-4-propyl-;Benzene, 1-[2-(4-ethoxyphenyl)ethynyl]-4-propyl-;
PSA 9.23000
LogP 4.43760

1-[2-(4-Ethoxyphenyl)ethynyl]-4-propylbenzene Specification

The 1-[2-(4-Ethoxyphenyl)ethynyl]-4-propylbenzene, with the CAS registry number 39969-29-4, has the systematic name of 1-ethoxy-4-[(4-propylphenyl)ethynyl]benzene. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₉H₂₀O.

The characteristics of 1-[2-(4-Ethoxyphenyl)ethynyl]-4-propylbenzene are as followings: (1)ACD/LogP: 6.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.75; (4)ACD/LogD (pH 7.4): 6.75; (5)ACD/BCF (pH 5.5): 79362.49; (6)ACD/BCF (pH 7.4): 79362.49; (7)ACD/KOC (pH 5.5): 111872.84; (8)ACD/KOC (pH 7.4): 111872.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 83.61 cm³; (15)Molar Volume: 253.5 cm³; (16)Polarizability: 33.14×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 188.9 °C; (20)Enthalpy of Vaporization: 61.61 kJ/mol; (21)Boiling Point: 391.5 °C at 760 mmHg; (22)Vapour Pressure: 5.52E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c2ccc(C#Cc1ccc(cc1)CCC)cc2)CC
(2)InChI: InChI=1/C19H20O/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)20-4-2/h6-9,12-15H,3-5H2,1-2H3
(3)InChIKey: BVYDYACXLFCGSJ-UHFFFAOYAI

Product Name

1-(2-(4-ETHOXYPHENYL)ETHYNYL)-4-PROPYLBENZENE

1-[2-(4-Ethoxyphenyl)ethynyl]-4-propylbenzene Specification

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