Benzenamine,N-(phenylmethylene)- (538-51-2)

The N-Benzylideneaniline, with the CAS registry number 538-51-2, is also known as Benzylideneaniline. It belongs to the product categories of B; Stains and Dyes; Stains & Dyes, A to. Its EINECS registry number is 208-694-9. This chemical's molecular formula is C₁₃H₁₁N and molecular weight is 181.23. What's more, its IUPAC name is N,1-Diphenylmethanimine and systematic name is called N-[(E)-Phenylmethylidene]aniline.

Physical properties about N-Benzylideneaniline are: (1) ACD/LogP: 2.82; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.818; (4) ACD/LogD (pH 7.4): 2.82; (5) ACD/BCF (pH 5.5): 81.451; (6) ACD/BCF (pH 7.4): 81.879; (7) ACD/KOC (pH 5.5): 810.545; (8) ACD/KOC (pH 7.4): 814.8; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 12.36 Å²; (13) Index of Refraction: 1.55; (14) Molar Refractivity: 60.412 cm³; (15) Molar Volume: 189.504 cm³; (16) Surface Tension: 36.703 dyne/cm; (17) Density: 0.956 g/cm³; (18) Flash Point: 127.174 °C; (19) Enthalpy of Vaporization: 51.844 kJ/mol; (20) Boiling Point: 300 °C at 760 mmHg; (21) Vapour Pressure: 0.002 mmHg at 25 °C; (22) Melting Point: 52-54 °C.

Preparation of N-Benzylideneaniline: this chemical is prepared by reaction of N-Benzyl-N-nitroso-aniline.



This reaction needs solvent Toluene at temperature of 110 °C. The reaction time is 20 hours. The yield is 60 %.

Uses of N-Benzylideneaniline: it is used to produce other chemicals. For example, it is used to produce 2,6-Dimethyl-1,4-diphenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester.



The reaction occurs with reagent Ethanol and other condition of heating for 4 hours. The yield is 40 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)/C=N/c2ccccc2
(2) InChI: InChI=1/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H/b14-11+
(3) InChIKey: UVEWQKMPXAHFST-SDNWHVSQBK