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54574-23-1

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Basic Information
CAS No.: 54574-23-1
Name: N,N-dioctyl-p-anisidine
Molecular Structure:
Molecular Structure of 54574-23-1 (N,N-dioctyl-p-anisidine)
Formula: C23H41NO
Molecular Weight: 347.585
Synonyms: 4-Methoxy-N,N-dioctylaniline;N,N-Dioctyl-p-anisidine;
EINECS: 259-239-6
Density: 0.908 g/cm3
Boiling Point: 455.2 °C at 760 mmHg
Flash Point: 132.8 °C
PSA: 12.47000
LogP: 7.22260
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  • N,N-dioctyl-p-anisidine

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Specification

The Benzenamine,4-methoxy-N,N-dioctyl-, with the CAS registry number 54574-23-1, is also known as N,N-Dioctyl-p-anisidine. Its EINECS number is 259-239-6. This chemical's molecular formula is C23H41NO and molecular weight is 347.58. What's more, its systematic name is 4-methoxy-N,N-dioctylaniline.

Physical properties of Benzenamine,4-methoxy-N,N-dioctyl- are: (1)ACD/LogP: 8.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.38; (4)ACD/LogD (pH 7.4): 8.71; (5)ACD/BCF (pH 5.5): 105073.45; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 51876.49; (8)ACD/KOC (pH 7.4): 1117556; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 112.1 cm3; (15)Molar Volume: 382.5 cm3; (16)Polarizability: 44.44×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 0.908 g/cm3; (19)Flash Point: 132.8 °C; (20)Enthalpy of Vaporization: 71.5 kJ/mol; (21)Boiling Point: 455.2 °C at 760 mmHg; (22)Vapour Pressure: 1.78E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCN(CCCCCCCC)C1=CC=C(C=C1)OC
(2)InChI: InChI=1S/C23H41NO/c1-4-6-8-10-12-14-20-24(21-15-13-11-9-7-5-2)22-16-18-23(25-3)19-17-22/h16-19H,4-15,20-21H2,1-3H3
(3)InChIKey: QGIAFYUUXOEZIP-UHFFFAOYSA-N