p-Decyloxybenzylidene p-butylaniline supplier

Name
P-DECYLOXYBENZYLIDENE-P-BUTYLANILINE
EINECS
CAS No. 51749-29-2
Density 0.93 g/cm³
Solubility
Melting Point
Formula C₂₇H₃₉NO
Boiling Point 517.1 °C at 760 mmHg
Molecular Weight 393.613
Flash Point 213.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (E)-N-(4-Decyloxybenzylidene)-4-butylaniline;
PSA 21.59000
LogP 8.29930

p-Decyloxybenzylidene p-butylaniline Specification

The p-Decyloxybenzylidene p-butylaniline, with the CAS registry number 51749-29-2, is also known as Benzenamine, 4-butyl-N-[(1E)-[4-(decyloxy)phenyl]methylene]-. This chemical's molecular formula is C₂₇H₃₉NO and molecular weight is 393.6. What's more, its systematic name is 4-Butyl-N-{(E)-[4-(decyloxy)phenyl]methylidene}aniline.

Physical properties about p-Decyloxybenzylidene p-butylaniline are: (1)ACD/LogP: 9.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.84; (4)ACD/LogD (pH 7.4): 9.86; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5213034.5; (8)ACD/KOC (pH 7.4): 5496661; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 21.59 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 125.96 cm³; (15)Molar Volume: 419.4 cm³; (16)Polarizability: 49.93×10^-24 cm³; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 0.93 g/cm³; (19)Flash Point: 213.1 °C; (20)Enthalpy of Vaporization: 75.96 kJ/mol; (21)Boiling Point: 517.1 °C at 760 mmHg; (22)Vapour Pressure: 2.75E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)\C=N\c2ccc(cc2)CCCC)CCCCCCCCCC
(2) InChI: InChI=1/C27H39NO/c1-3-5-7-8-9-10-11-12-22-29-27-20-16-25(17-21-27)23-28-26-18-14-24(15-19-26)13-6-4-2/h14-21,23H,3-13,22H2,1-2H3/b28-23+
(3) InChIKey: MSABKRNOGDWYAE-WEMUOSSPBJ

Product Name

P-DECYLOXYBENZYLIDENE-P-BUTYLANILINE

p-Decyloxybenzylidene p-butylaniline Specification

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