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85448-89-1

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Basic Information
CAS No.: 85448-89-1
Name: 2'-METHYL-4-METHOXY DIPHENYL AMINE
Article Data: 29
Molecular Structure:
Molecular Structure of 85448-89-1 (2'-METHYL-4-METHOXY DIPHENYL AMINE)
Formula: C14H15NO
Molecular Weight: 213.279
Synonyms: Benzenamine, 4-methoxy-2-methyl-N-phenyl-;(4-Methoxy-2-methylphenyl)phenylamine;4-Methoxy-2-methyl-N-phenylaniline;
Density: 1.089 g/cm3
Boiling Point: 344.6 °C at 760 mmHg
Flash Point: 140.1 °C
PSA: 21.26000
LogP: 3.82020
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Specification

The systematic name of 2'-Methyl-4-methoxydiphenylamine is 4-Methoxy-2-methyl-N-phenylaniline. With the CAS registry number 85448-89-1, it is also named as 4-Methoxy-2-methyldiphenylamine. In addition, its molecular formula is C14H15NO and its molecular weight is 213.28. 

The other characteristics of 2'-Methyl-4-methoxydiphenylamine can be summarized as: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 217.68; (6)ACD/BCF (pH 7.4): 217.69; (7)ACD/KOC (pH 5.5): 1640.61; (8)ACD/KOC (pH 7.4): 1640.73; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 67.13 cm3; (15)Molar Volume: 195.7 cm3; (16)Polarizability: 26.61×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.089 g/cm3; (19)Flash Point: 140.1 °C; (20)Enthalpy of Vaporization: 58.86 kJ/mol; (21)Boiling Point: 344.6 °C at 760 mmHg; (22)Vapour Pressure: 6.5E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(c2cc(c(Nc1ccccc1)cc2)C)C
(2)InChI:InChI=1/C14H15NO/c1-11-10-13(16-2)8-9-14(11)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3
(3)InChIKey:CYMPUOGZUXAIMY-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C14H15NO/c1-11-10-13(16-2)8-9-14(11)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3
(5)Std. InChIKey:CYMPUOGZUXAIMY-UHFFFAOYSA-N