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CAS No.: | 13066-01-8 |
---|---|
Name: | 4-(2-METHOXYPHENOXY)ANILINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C13H13NO2 |
Molecular Weight: | 215.252 |
Synonyms: | Aniline,p-(o-methoxyphenoxy)- (7CI);4-(2-Methoxyphenoxy)aniline;p-(o-Methoxyphenoxy)aniline; |
Density: | 1.155g/cm3 |
Melting Point: | 92.2-94.4 |
Boiling Point: | 352.1 °C at 760 mmHg |
Flash Point: | 183 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 44.48000 |
LogP: | 3.65090 |
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The Benzenamine, 4-(2-methoxyphenoxy)-, with CAS registry number 13066-01-8, has the systematic name of 4-(2-methoxyphenoxy)aniline. Besides this, it is also called [4-(2-Methoxyphenoxy)phenyl]amine. And the chemical formula of this chemical is C13H13NO2.
Physical properties of Benzenamine, 4-(2-methoxyphenoxy)-: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 3.24; (6)ACD/BCF (pH 7.4): 3.82; (7)ACD/KOC (pH 5.5): 76.93; (8)ACD/KOC (pH 7.4): 90.8; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 63.61 cm3; (15)Molar Volume: 186.3 cm3; (16)Polarizability: 25.21×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.155 g/cm3; (19)Flash Point: 183 °C; (20)Enthalpy of Vaporization: 59.68 kJ/mol; (21)Boiling Point: 352.1 °C at 760 mmHg; (22)Vapour Pressure: 3.93E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1OC)c2ccc(N)cc2
(2)InChI: InChI=1/C13H13NO2/c1-15-12-4-2-3-5-13(12)16-11-8-6-10(14)7-9-11/h2-9H,14H2,1H3
(3)InChIKey: XFOFRBMGVDBINH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H13NO2/c1-15-12-4-2-3-5-13(12)16-11-8-6-10(14)7-9-11/h2-9H,14H2,1H3
(5)Std. InChIKey: XFOFRBMGVDBINH-UHFFFAOYSA-N