CAS No.3526-43-0,(4-Methoxy-benzyl)-phenyl-amine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3526-43-0
Name:	(4-Methoxy-benzyl)-phenyl-amine
Article Data:	384

Formula:	C₁₄H₁₅NO
Molecular Weight:	213.279
Synonyms:	N-Phenyl-4-methoxy benzylamine;4-Methoxy-N-phenyl-benzenemethanamine;OTAVA-BB 1371564;
Density:	1.102 g/cm³
Boiling Point:	349.27 °C at 760 mmHg
Flash Point:	141.735 °C
PSA:	21.26000
LogP:	3.38030

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Specification

The (4-Methoxy-benzyl)-phenyl-amine, with the CAS registry number of 3526-43-0, is also known as 4-Methoxy-N-phenyl-benzenemethanamine. This chemical's molecular formula is C₁₄H₁₅NO and molecular weight is 213.27. What's more, its IUPAC name is N-[(4-Methoxyphenyl)methyl]aniline.

Physical properties about (4-Methoxy-benzyl)-phenyl-amine are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.691; (4)ACD/LogD (pH 7.4): 2.704; (5)ACD/BCF (pH 5.5): 64.811; (6)ACD/BCF (pH 7.4): 66.814; (7)ACD/KOC (pH 5.5): 683.259; (8)ACD/KOC (pH 7.4): 704.373; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.26 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 67.028 cm³; (15)Molar Volume: 193.594 cm³; (16)Polarizability: 26.572×10^-24 cm³; (17)Surface Tension: 42.735 dyne/cm; (18)Density: 1.102 g/cm³; (19)Flash Point: 141.735 °C; (20)Enthalpy of Vaporization: 59.374 kJ/mol; (21)Boiling Point: 349.27 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of (4-Methoxy-benzyl)-phenyl-amine: this chemical is prepared by N-(4-Methoxy-benzylidene)-aniline at ambient temperature. The reaction needs reagent Diborane and solvent Methanol. The reaction time is 30 minutes. The yield is about 95.2 %.

The (4-Methoxy-benzyl)-phenyl-amine can be obtained by N-(4-Methoxy-benzylidene)-aniline.

Uses of (4-Methoxy-benzyl)-phenyl-amine: it is used to produce other chemicals. For example, it is used to produce 4-Methoxy-benzaldehyde and N-(4-Methoxy-benzylidene)-aniline. This reaction needs reagent O₂, catalyst N, N-Ethylenebis(salicylideneiminato)cobalt(II) and solvent Ethanol. The reaction time is 24 hours with reaction temperature of 60 °C. The yield is about 80 %.

(4-Methoxy-benzyl)-phenyl-amine can be used to produce 4-Methoxy-benzaldehyde and N-(4-Methoxy-benzylidene)-aniline.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(cc1)CNc2ccccc2
(2) InChI: InChI=1/C14H15NO/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
(3) InChIKey: WRDZMZGYHVUYRU-UHFFFAOYAK