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20349-42-2

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Basic Information
CAS No.: 20349-42-2
Name: 2-(2-tert-butyl-5-methylphenoxy)aniline
Article Data: 4
Molecular Structure:
Molecular Structure of 20349-42-2 (2-(2-tert-butyl-5-methylphenoxy)aniline)
Formula: C17H21 N O
Molecular Weight: 255.36
Synonyms: Aniline,o-[(6-tert-butyl-m-tolyl)oxy]- (8CI);
EINECS: 243-755-3
Density: 1.041g/cm3
Boiling Point: 344.3°Cat760mmHg
Flash Point: 147.8°C
PSA: 35.25000
LogP: 5.24820
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Specification

2-(2-tert-Butyl-5-methylphenoxy)aniline, with the CAS NO. 20349-42-2, it is also called 2-Aminophenyl(2-tert-butyl-5-methylphenyl) ether; Einecs 243-755-3. The Molecular Formula of 2-(2-tert-Butyl-5-methylphenoxy)aniline is C19H25NO, and its Molecular Weight is 283.4079.

Physical properties about 2-(2-tert-Butyl-5-methylphenoxy)aniline are: (1)ACD/LogP: 5.275; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.26; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 5822.37; (6)ACD/BCF (pH 7.4): 6004.70; (7)ACD/KOC (pH 5.5): 17092.11; (8)ACD/KOC (pH 7.4): 17627.34; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 80.145 cm3; (14)Molar Volume: 245.263 cm3; (15)Polarizability: 31.772 10-24cm3; (16)Surface Tension: 38.242000579834 dyne/cm; (17)Density: 1.041 g/cm3; (18)Flash Point: 147.779 °C; (19)Enthalpy of Vaporization: 58.825 kJ/mol; (20)Boiling Point: 344.301 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C17H21NO/c1-12-9-10-13(17(2,3)4)16(11-12)19-15-8-6-5-7-14(15)18/h5-11H,18H2,1-4H3;
(2)InChIKey=XOQCIBMHBHDBQP-UHFFFAOYSA-N;
(3)Smilesc1(c(ccc(c1)C)C(C)(C)C)Oc1c(N)cccc1