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CAS No.: | 56705-84-1 |
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Name: | 4-(3-methylphenoxy)aniline |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C13H13NO |
Molecular Weight: | 199.252 |
Synonyms: | 4-(3-Methylphenoxy)benzenamine;4-(3-methylphenoxy)aniline;4-(3-Methylphenoxy)phenylamine; |
Density: | 1.115 g/cm3 |
Boiling Point: | 333.5 °C at 760 mmHg |
Flash Point: | 160.7 °C |
PSA: | 35.25000 |
LogP: | 4.75270 |
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The Benzenamine, 4-(3-methylphenoxy)-, with the CAS registry number 56705-84-1, is also known as 4-(3-Methylphenoxy)phenylamine. This chemical's molecular formula is C13H13NO and molecular weight is 199.2484. What's more, both its IUPAC name and systematic name are the same which is called 4-(3-Methylphenoxy)aniline.
Physical properties about Benzenamine, 4-(3-methylphenoxy)- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 69.2; (6)ACD/BCF (pH 7.4): 81.71; (7)ACD/KOC (pH 5.5): 688.6; (8)ACD/KOC (pH 7.4): 813.05; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 61.75 cm3; (15)Molar Volume: 178.5 cm3; (16)Polarizability: 24.48×10-24 cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.115 g/cm3; (19)Flash Point: 160.7 °C; (20)Enthalpy of Vaporization: 57.63 kJ/mol; (21)Boiling Point: 333.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000136 mmHg at 25 °C.
Use of Benzenamine, 4-(3-methylphenoxy)-: it is used to produce other chemicals. For example, it is used to produce (7-chloro-quinolin-4-yl)-(4-m-tolyloxy-phenyl)-amine. The reaction occurs with solvent ethanol by heating. The yield is 74 %.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(N)cc1)c2cc(ccc2)C
(2)InChI: InChI=1/C13H13NO/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h2-9H,14H2,1H3
(3)InChIKey: GYVLOVTVJKXIGZ-UHFFFAOYAV