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CAS No.: | 96331-95-2 |
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Name: | 2-[2-(2-Aminophenoxy)ethoxy]-4-methyl-benzenamine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C15H18N2O2 |
Molecular Weight: | 258.32 |
Synonyms: | 1-(2-Amino-5-methylphenoxy)-2-(2-aminophenoxy)ethane;2-[2-(2-Aminophenoxy)ethoxy]-4-methyl-benzenamine; |
Density: | 1.178 g/cm3 |
Boiling Point: | 465.8 °C at 760 mmHg |
Flash Point: | 259.2 °C |
PSA: | 70.50000 |
LogP: | 3.77960 |
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The Benzenamine,2-[2-(2-aminophenoxy)ethoxy]-4-methyl-, with its CAS registry number 96331-95-2, has its systematic name of 2-[2-(2-aminophenoxy)ethoxy]-4-methylaniline. With its molecular formula of C15H18N2O2, it is a kind of redish solid and it belongs to the product categories of Chemical Amines; Amines; Aromatics.
Physical properties of Benzenamine,2-[2-(2-aminophenoxy)ethoxy]-4-methyl-: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 18.85; (6)ACD/BCF (pH 7.4): 26.92; (7)ACD/KOC (pH 5.5): 256.87; (8)ACD/KOC (pH 7.4): 367; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 70.5 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 77.11 cm3; (15)Molar Volume: 219.1 cm3; (16)Polarizability: 30.56×10-24cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.178 g/cm3; (19)Flash Point: 259.2 °C; (20)Enthalpy of Vaporization: 72.74 kJ/mol; (21)Boiling Point: 465.8 °C at 760 mmHg; (22)Vapour Pressure: 7.48E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Nc2ccccc2OCCOc1cc(C)ccc1N
(2)InChI:InChI=1/C15H18N2O2/c1-11-6-7-13(17)15(10-11)19-9-8-18-14-5-3-2-4-12(14)16/h2-7,10H,8-9,16-17H2,1H3
(3)InChIKey:DNJQPJBLGFGESM-UHFFFAOYAR