2,5-Bis((E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene)cyclopentanone supplier

Name
2,5-Bis((E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene)cyclopentanone
EINECS
CAS No. 53115-01-8
Density 1.285 g/cm³
Solubility
Melting Point
Formula C₃₁H₃₀N₂O
Boiling Point 644.9 °C at 760 mmHg
Molecular Weight 446.58
Flash Point 274.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclopentanone, 2, 5-bis[(1-ethyl-2(1H)-quinolinylidene)ethylidene]- (9CI);2,5-Bis{(E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene}cyclopentanone;
PSA 26.93000
LogP 5.67490

2,5-Bis((E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene)cyclopentanone Specification

The 2, 5-Bis((E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene)cyclopentanone, with the CAS registry number 53115-01-8, is also known as Cyclopentanone, 2, 5-bis[(1-ethyl-2(1H)-quinolinylidene)ethylidene]- (9CI). This chemical's molecular formula is C₃₁H₃₀N₂O and molecular weight is 446.58. What's more, its systematic name is (2E, 5E)-2, 5-Bis[(2E)-2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]cyclopentanone.

Physical properties about 2, 5-Bis((E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene)cyclopentanone are: (1)ACD/LogP: 4.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.74; (4)ACD/LogD (pH 7.4): 4.74; (5)ACD/BCF (pH 5.5): 2353.69; (6)ACD/BCF (pH 7.4): 2354.36; (7)ACD/KOC (pH 5.5): 9016.91; (8)ACD/KOC (pH 7.4): 9019.5; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.781; (14)Molar Refractivity: 145.93 cm³; (15)Molar Volume: 347.3 cm³; (16)Polarizability: 57.85×10^-24 cm³; (17)Surface Tension: 73 dyne/cm; (18)Density: 1.285 g/cm³; (19)Flash Point: 274.9 °C; (20)Enthalpy of Vaporization: 95.14 kJ/mol; (21)Boiling Point: 644.9 °C at 760 mmHg; (22)Vapour Pressure: 1.6E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/3\C(=C\C=C2/C=C\c1ccccc1N2CC)CCC\3=C\C=C5/C=C\c4c(cccc4)N5CC
(2) InChI: InChI=1/C31H30N2O/c1-3-32-27(19-15-23-9-5-7-11-29(23)32)21-17-25-13-14-26(31(25)34)18-22-28-20-16-24-10-6-8-12-30(24)33(28)4-2/h5-12,15-22H,3-4,13-14H2,1-2H3/b25-17+,26-18+,27-21+,28-22+
(3) InChIKey: CKZJFOIJQOLTJP-ZXPULGRGBH

Product Name

2,5-Bis((E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene)cyclopentanone

2,5-Bis((E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene)cyclopentanone Specification

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